data_1quw_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 1quw _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 ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 121.706 0.765 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 ttt -82.62 159.82 22.62 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.796 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -130.0 108.53 10.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.33 168.77 11.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.517 1.151 . . . . 0.0 109.653 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 9.3 t -157.86 150.89 23.05 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 25.3 p-10 -24.91 -56.97 0.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.37 -50.67 15.19 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.628 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -70.84 -22.33 62.33 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.566 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -53.19 -60.4 3.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 111.923 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -76.18 -35.31 59.2 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.896 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.39 -23.74 67.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.453 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -55.74 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.644 -0.66 . . . . 0.0 111.425 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.68 -36.01 63.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.972 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -71.08 -14.87 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -97.59 0.02 OUTLIER Glycine 0 N--CA 1.461 0.337 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.962 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -172.38 84.67 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 170.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -154.13 121.85 2.95 Favored Pre-proline 0 C--N 1.322 -0.606 0 C-N-CA 118.608 -1.237 . . . . 0.0 111.488 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.95 110.61 0.39 Allowed 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.892 1.728 . . . . 0.0 112.633 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -143.99 120.91 5.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 tt -91.28 109.71 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.805 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.8 128.7 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.715 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.99 117.7 35.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -98.64 116.94 31.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -147.17 177.37 9.23 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.217 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.57 33.51 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.796 -1.162 . . . . 0.0 109.787 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.58 -11.39 59.86 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.01 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.497 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 19.1 p-90 -95.71 4.02 53.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.835 -0.541 . . . . 0.0 112.267 172.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 72' ' ' ILE . 4.2 t -78.24 153.4 31.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.248 1.023 . . . . 0.0 111.648 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.91 -68.12 1.22 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.13 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -83.32 9.17 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 CA-C-N 119.218 1.509 . . . . 0.0 113.867 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.573 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 26.7 m -75.8 -20.96 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.959 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 33' ' ' ARG . 7.5 mpt_? -63.28 -27.13 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.88 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.6 mtp -57.89 -58.38 8.66 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.728 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.429 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.3 ptm -86.35 6.55 29.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.42 -52.86 62.62 Favored Pre-proline 0 C--N 1.321 -0.662 0 O-C-N 121.136 -0.977 . . . . 0.0 113.011 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 83.3 Cg_endo -77.99 -20.21 11.78 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 CA-C-N 121.561 1.593 . . . . 0.0 113.579 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 93' ' ' LYS . 30.7 m -72.95 -31.73 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 118.211 -1.396 . . . . 0.0 110.739 175.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.01 -40.83 87.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.66 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -72.71 -30.38 64.16 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.645 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.1 -19.28 60.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.289 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.8 t80 -69.4 -39.67 77.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.745 0.783 . . . . 0.0 110.856 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.97 -20.39 65.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.689 171.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.4 -24.65 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.502 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.617 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.94 -56.13 3.86 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.293 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.96 -70.05 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 171.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -87.5 35.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.889 0.852 . . . . 0.0 110.4 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -153.64 -48.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.19 120.91 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.999 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.2 m -89.86 96.48 10.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.25 98.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.7 164.86 12.4 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.208 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -132.1 116.09 16.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.177 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 6' ' ' THR . 23.9 tp -111.01 129.87 55.77 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.123 171.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -84.42 110.98 19.05 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -74.57 -14.81 16.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.426 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 25.9 t0 -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.594 169.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.45 -40.34 73.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -114.59 105.95 52.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.51 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -105.69 10.86 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.578 0 N-CA-C 114.219 0.815 . . . . 0.0 114.219 -166.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 2.9 pp20? -83.12 -42.17 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 120.873 -1.142 . . . . 0.0 111.873 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 t -81.86 -25.7 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.185 -1.006 . . . . 0.0 112.514 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -66.23 -26.65 67.47 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.224 -0.99 . . . . 0.0 111.48 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -78.0 -29.92 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.697 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 25.8 mm-40 -70.25 -52.24 24.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.946 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -77.84 -33.16 52.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.454 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.13 70.66 1.33 Allowed Glycine 0 CA--C 1.519 0.285 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.43 94.55 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.2 mtt -92.02 -18.06 24.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.626 -1.23 . . . . 0.0 112.705 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -145.75 100.84 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.275 -1.37 . . . . 0.0 110.898 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.637 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.3 pp -68.87 150.4 97.63 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.207 171.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 94.1 Cg_endo -81.55 156.97 81.76 Favored 'Cis proline' 0 C--N 1.323 -0.771 0 C-N-CA 123.324 -1.532 . . . . 0.0 111.833 2.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.409 HG21 HG23 ' A' ' 88' ' ' ILE . 54.8 m -142.27 119.21 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.922 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.19 126.21 51.83 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.531 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mt -132.95 128.66 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.566 -0.853 . . . . 0.0 109.165 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.71 127.05 41.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.14 132.13 56.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -107.56 -42.75 4.69 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.857 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.22 60.09 0.51 Allowed Glycine 0 N--CA 1.46 0.288 0 C-N-CA 119.16 -1.495 . . . . 0.0 110.986 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.7 40.9 85.24 Favored Glycine 0 N--CA 1.462 0.373 0 C-N-CA 119.775 -1.202 . . . . 0.0 112.004 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.84 120.73 1.04 Allowed Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.23 113.89 3.9 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.241 1.294 . . . . 0.0 109.929 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.88 -42.95 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.411 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.05 125.95 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.784 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -107.04 124.82 50.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.525 HD23 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -135.0 142.3 46.41 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.786 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.437 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.93 175.15 10.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.196 0.998 . . . . 0.0 110.717 -171.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.44 -159.64 35.35 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -91.85 128.77 37.81 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.319 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.429 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -133.4 122.47 17.03 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.94 163.98 5.27 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.259 1.306 . . . . 0.0 112.536 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 28.2 ttpt -60.36 -29.39 68.89 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.193 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.85 -34.67 73.92 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.824 -0.548 . . . . 0.0 111.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -71.96 -44.17 64.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.007 0.908 . . . . 0.0 109.863 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -58.36 -49.24 77.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.023 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.59 -37.58 86.81 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.366 -0.834 . . . . 0.0 112.434 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.357 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.525 HE21 HD23 ' A' ' 87' ' ' LEU . 13.4 tp60 -58.25 -49.87 75.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.681 0.753 . . . . 0.0 111.293 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.34 -23.3 50.93 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.357 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 -36.85 73.4 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.283 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.91 -47.16 78.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.545 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.13 -29.1 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.43 -30.59 64.75 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.773 177.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 122.146 0.974 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 tpt -87.9 165.47 15.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.839 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -132.95 117.67 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.601 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.5 176.07 5.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.736 1.255 . . . . 0.0 110.253 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 9.0 t -156.4 173.85 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -43.63 -44.75 6.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.63 -45.84 9.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.464 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -69.46 -25.38 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.439 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' THR . 61.4 t80 -58.86 -51.24 70.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.984 0.421 . . . . 0.0 111.81 178.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -67.3 -30.27 70.08 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.596 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -74.12 -31.94 62.98 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.492 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.16 -48.58 56.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.29 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.93 -27.89 20.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 119.709 -0.797 . . . . 0.0 112.391 -173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -74.43 -14.91 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -86.75 0.05 OUTLIER Glycine 0 N--CA 1.462 0.368 0 C-N-CA 119.774 -1.203 . . . . 0.0 112.985 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -162.57 -51.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.898 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -64.64 131.69 95.2 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.747 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.96 117.86 4.34 Favored 'Trans proline' 0 C--N 1.326 -0.632 0 C-N-CA 121.67 1.58 . . . . 0.0 112.167 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -107.27 117.94 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.0 tp -87.07 109.9 19.73 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.455 172.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.5 t -86.75 132.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.653 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.37 106.09 17.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -83.99 121.52 27.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -147.21 177.21 9.37 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.415 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.35 156.8 46.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.458 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -28.74 64.12 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.323 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.596 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.606 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.2 t -66.75 143.8 56.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.207 1.003 . . . . 0.0 111.304 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.25 -59.11 1.49 Allowed Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.593 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.4 -2.03 12.17 Favored 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 119.71 1.755 . . . . 0.0 113.841 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 31.0 m -74.0 -24.98 59.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.235 174.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.08 -26.28 62.99 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.242 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mtt -64.65 -41.66 95.97 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.313 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 ptp -80.57 -7.34 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.007 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.69 -57.28 13.88 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 112.968 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 78.3 Cg_endo -67.76 -33.68 26.68 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.533 1.583 . . . . 0.0 112.613 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.6 t -56.8 -44.8 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 HD12 ' HZ2' ' A' ' 54' ' ' LYS . 23.7 mt -72.38 -28.19 62.85 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.814 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -67.59 -40.98 84.77 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.574 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' CD ' ' HZ2' ' A' ' 93' ' ' LYS . 52.1 mt-10 -66.34 -34.96 79.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 110.921 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 32.6 t80 -72.0 -42.22 66.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.721 0.772 . . . . 0.0 112.034 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -25.59 66.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.954 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.29 -17.6 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.612 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.08 -54.79 6.32 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.782 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 92.2 m-70 -89.5 -50.39 6.12 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.517 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 68.54 -83.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 168.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.42 37.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.18 0.991 . . . . 0.0 110.406 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HG3' HD21 ' A' ' 104' ' ' LEU . 18.0 tppt? -145.11 -42.13 0.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.53 164.78 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.536 1.16 . . . . 0.0 110.707 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -139.92 88.38 2.23 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 165.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' CG2' ' HB1' ' A' ' 43' ' ' ALA . 1.1 m -70.1 98.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.32 179.86 4.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.853 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HZ2' HD12 ' A' ' 39' ' ' LEU . 70.8 mmtt -141.71 108.63 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.482 -171.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -115.64 133.58 55.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -81.89 117.66 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.314 -0.954 . . . . 0.0 108.748 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.31 -14.65 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.81 -40.81 24.37 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.393 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.72 -47.97 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.507 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -98.84 118.44 62.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.773 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -101.27 -10.77 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 120.75 0.966 . . . . 0.0 114.314 -167.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -78.74 -45.22 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.407 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -79.81 -34.31 39.64 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.707 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -65.16 -27.83 68.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.695 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -77.88 -32.31 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.469 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.1 -49.53 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.288 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.57 -29.62 24.0 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.851 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.0 74.62 1.22 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.276 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.6 99.43 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -96.7 9.26 42.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.87 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.2 t -156.38 157.18 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.301 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.606 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -141.98 145.46 36.3 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 95.7 Cg_endo -83.95 138.01 29.59 Favored 'Cis proline' 0 C--N 1.324 -0.718 0 C-N-CA 123.235 -1.569 . . . . 0.0 111.008 3.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -112.71 118.53 35.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.955 0.883 . . . . 0.0 109.373 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.39 126.03 41.31 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.247 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.19 125.08 32.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tt -93.33 134.11 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.885 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 83.5 m-85 -115.82 131.98 56.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.134 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -91.92 -71.35 0.64 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.668 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.23 53.12 0.71 Allowed Glycine 0 N--CA 1.462 0.41 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.3 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.8 45.49 7.2 Favored Glycine 0 N--CA 1.461 0.309 0 C-N-CA 119.687 -1.244 . . . . 0.0 111.073 -177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.68 118.1 1.33 Allowed Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 60.4 Cg_endo -72.88 120.03 6.41 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.345 1.363 . . . . 0.0 110.679 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.6 m -78.62 -45.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.434 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -148.35 161.82 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.149 0.976 . . . . 0.0 110.059 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -142.6 110.23 5.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.181 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -119.27 159.38 24.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.443 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -141.39 165.16 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 119.101 -1.04 . . . . 0.0 111.481 -167.077 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.32 171.23 42.76 Favored Glycine 0 N--CA 1.461 0.32 0 C-N-CA 120.033 -1.079 . . . . 0.0 110.539 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.88 119.36 14.9 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.664 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.488 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.1 pt20 -119.57 120.78 30.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.541 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD2' ' HG3' ' A' ' 95' ' ' GLN . 53.5 Cg_exo -49.11 166.86 0.15 Allowed 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.096 1.864 . . . . 0.0 114.622 178.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.489 ' HZ2' ' CD ' ' A' ' 41' ' ' GLU . 34.4 ttpt -60.42 -36.11 77.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.562 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.54 -29.76 70.43 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.851 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 21.0 mm100 -75.32 -38.55 60.19 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 111.044 173.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.4 mm? -56.63 -53.81 53.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.902 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.75 -44.21 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.462 -171.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.23 86.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.921 0.867 . . . . 0.0 111.378 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.91 -48.95 78.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.066 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . 3.7 mm? -72.56 -33.74 67.01 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.739 -0.785 . . . . 0.0 112.766 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.1 66.6 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.144 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.53 -43.03 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.883 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.2 m -85.12 -28.23 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.451 HD21 ' HG3' ' A' ' 49' ' ' LYS . 90.7 mt -75.52 -12.98 60.34 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.911 -173.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.838 179.681 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 122.419 1.104 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 tpt -88.72 162.15 16.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.577 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -132.53 116.47 16.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.148 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -95.87 170.65 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.903 1.335 . . . . 0.0 110.216 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -152.25 168.46 25.32 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.86 -41.5 11.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.49 -41.87 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.303 -0.873 . . . . 0.0 112.396 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -66.82 -29.08 68.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.828 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.35 -45.17 80.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.147 0.499 . . . . 0.0 111.953 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.14 -34.65 78.07 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.844 -0.742 . . . . 0.0 112.026 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.51 -25.53 28.74 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.973 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.72 -46.59 71.77 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.72 -0.612 . . . . 0.0 112.515 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 pt -77.84 -26.11 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.606 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -70.98 -15.42 62.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.41 -88.08 0.02 OUTLIER Glycine 0 N--CA 1.46 0.243 0 C-N-CA 119.732 -1.223 . . . . 0.0 112.963 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -158.34 -65.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.651 -173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -80.16 167.33 34.12 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.944 -167.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -56.64 137.26 80.25 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.797 1.665 . . . . 0.0 113.061 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.31 109.69 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 tt -87.21 115.97 24.97 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.395 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.43 127.51 45.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.906 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.05 107.77 20.33 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -84.52 114.52 22.01 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -143.12 173.75 11.29 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.516 -172.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.0 154.72 50.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.35 1.071 . . . . 0.0 110.272 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.756 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -89.03 0.88 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.568 -0.707 . . . . 0.0 112.474 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 72' ' ' ILE . 5.0 t -72.64 153.2 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.342 1.068 . . . . 0.0 112.23 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.23 -60.0 1.14 Allowed Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.545 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.5 Cg_endo -73.13 -4.54 15.6 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 CA-C-N 119.739 1.769 . . . . 0.0 114.013 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 m -76.86 -21.91 54.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.335 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 33' ' ' ARG . 3.9 mpt_? -65.53 -31.0 71.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.483 -0.761 . . . . 0.0 111.622 173.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 82.5 mtp -67.41 -45.92 74.72 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.576 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ptp -82.18 -3.41 54.91 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.822 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -45.24 -50.46 28.58 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.4 Cg_endo -76.06 -36.09 2.12 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-N 121.472 1.562 . . . . 0.0 113.451 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -64.76 -34.88 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.777 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.1 -40.09 82.68 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.745 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.79 -37.22 86.89 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.714 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.929 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 23.6 t80 -72.65 -43.3 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.807 0.813 . . . . 0.0 111.365 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.19 64.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.954 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -88.78 -12.34 42.37 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.19 -1.004 . . . . 0.0 111.782 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.12 -54.49 5.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.984 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 94.4 m-70 -88.06 -48.65 7.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 -177.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.63 -92.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 170.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.06 -4.63 48.21 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.421 -0.912 . . . . 0.0 111.673 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 18.0 tppt? -92.19 -35.09 14.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.724 -0.61 . . . . 0.0 110.449 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.9 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.464 1.126 . . . . 0.0 110.94 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.5 m -130.67 90.1 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 163.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -78.75 99.39 3.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.4 179.67 4.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.033 0.92 . . . . 0.0 111.593 -169.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -142.26 109.29 5.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.7 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.39 133.41 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.03 115.06 22.63 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.761 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.07 -26.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.688 -0.805 . . . . 0.0 111.616 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.36 -48.92 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.83 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -79.01 -32.23 45.03 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -118.37 95.84 49.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.267 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -100.67 9.82 0.58 Allowed 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 120.772 0.981 . . . . 0.0 114.377 -168.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -88.05 -48.79 7.48 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.943 -173.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -79.59 -26.64 41.22 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.177 -1.009 . . . . 0.0 111.776 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.5 -24.64 64.69 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.477 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -83.68 -26.88 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.212 171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.95 -49.84 73.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.114 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -85.12 -31.53 23.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.585 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.48 77.02 1.24 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.4 mm -88.25 105.32 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.6 mtt -100.61 -3.91 29.52 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.753 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -159.79 104.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.755 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -85.46 150.55 54.41 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.577 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.54 141.58 56.33 Favored 'Cis proline' 0 C--N 1.326 -0.655 0 C-N-CA 123.114 -1.619 . . . . 0.0 111.533 4.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.2 m -118.34 118.05 30.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.173 0.987 . . . . 0.0 109.126 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.47 120.84 36.42 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.1 mt -130.51 126.19 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 119.456 -0.898 . . . . 0.0 108.849 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 103' ' ' VAL . 3.3 tm? -96.16 121.5 38.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.281 -178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.4 m-85 -107.2 151.76 24.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.043 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -119.8 -61.48 1.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.688 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.78 53.75 0.7 Allowed Glycine 0 N--CA 1.462 0.394 0 C-N-CA 119.414 -1.374 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.59 32.22 11.9 Favored Glycine 0 N--CA 1.461 0.357 0 C-N-CA 119.836 -1.173 . . . . 0.0 111.811 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.47 118.21 1.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.402 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 73.2 Cg_endo -71.72 113.5 3.67 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.292 1.328 . . . . 0.0 109.323 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.29 -45.97 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.427 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -143.26 145.3 32.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.206 1.003 . . . . 0.0 109.685 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -124.85 111.05 15.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.134 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.45 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -121.81 148.09 45.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.365 1.078 . . . . 0.0 108.563 169.338 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.95 161.8 35.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.616 -167.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.35 -173.11 35.41 Favored Glycine 0 N--CA 1.46 0.248 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.182 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -81.22 126.72 31.87 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.465 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.45 HE22 HD13 ' A' ' 87' ' ' LEU . 7.1 pt20 -141.94 122.49 8.44 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.97 171.48 1.6 Allowed 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 121.351 1.368 . . . . 0.0 114.117 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.72 -42.09 56.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.86 -30.12 71.1 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.458 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -73.37 -41.54 63.27 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.539 173.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.541 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -57.48 -56.14 25.7 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.387 172.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.53 -44.93 85.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.986 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -50.3 73.86 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -56.2 -53.23 59.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.072 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.2 -30.42 60.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.623 -0.831 . . . . 0.0 112.616 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.7 62.13 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.153 -0.967 . . . . 0.0 112.33 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -67.53 -46.86 71.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.727 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 77' ' ' LEU . 21.7 m -83.04 -24.99 8.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.434 HD21 ' HG3' ' A' ' 49' ' ' LYS . 87.0 mt -77.95 -29.81 50.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.711 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.708 177.328 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 122.113 0.958 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 159.9 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.032 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -134.97 111.78 10.09 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.189 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.962 1.363 . . . . 0.0 110.584 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' ASP . 6.8 t -156.48 157.32 35.26 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.8 p-10 -25.93 -54.42 0.06 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.84 -49.74 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.613 -0.679 . . . . 0.0 112.606 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -66.74 -32.52 73.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.606 0.717 . . . . 0.0 110.789 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -48.36 -48.71 36.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.053 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.86 -50.07 65.89 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.959 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.68 -35.9 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.984 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.47 93.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 pt -83.38 -24.23 8.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.631 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -71.24 -16.23 62.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -90.9 0.02 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.498 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.88 -60.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.026 -1.07 . . . . 0.0 111.133 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.616 ' HZ2' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -72.5 146.53 88.92 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.222 -172.715 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -53.2 148.82 30.45 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.996 1.797 . . . . 0.0 115.575 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -144.77 116.92 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 tp -78.93 130.0 35.12 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.218 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 94.9 t -106.7 141.68 21.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.494 -0.883 . . . . 0.0 108.626 175.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 115.29 24.54 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 69.4 m-85 -99.27 112.44 24.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.05 173.94 13.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.477 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.08 158.13 44.34 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.957 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.53 -33.85 35.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.509 -0.876 . . . . 0.0 111.479 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 59.0 p-90 -74.45 1.36 12.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.462 -0.773 . . . . 0.0 112.629 172.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.68 ' SG ' HD13 ' A' ' 72' ' ' ILE . 7.7 t -66.09 155.7 36.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.705 1.24 . . . . 0.0 112.975 -171.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . -95.81 -61.98 0.99 Allowed Glycine 0 CA--C 1.521 0.445 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.29 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 74.4 Cg_endo -73.87 -12.57 24.07 Favored 'Trans proline' 0 C--N 1.328 -0.552 0 CA-C-N 119.533 1.667 . . . . 0.0 113.808 -175.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.511 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 m -73.45 -6.55 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.974 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -63.04 -33.39 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.622 -0.674 . . . . 0.0 112.166 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 44.8 mtt -68.89 -48.35 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.178 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.4 ptp -78.52 -0.99 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.55 -59.02 8.11 Favored Pre-proline 0 C--N 1.322 -0.613 0 O-C-N 121.341 -0.849 . . . . 0.0 113.288 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.17 -22.45 34.76 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 CA-C-N 121.607 1.61 . . . . 0.0 113.149 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.37 -49.66 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.357 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -68.23 -43.42 78.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.635 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.05 -32.95 72.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.584 173.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 8.3 t80 -74.92 -45.2 44.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -169.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.32 -29.63 69.87 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.68 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.84 -5.51 58.57 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.074 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.41 -56.45 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 91.3 m-70 -81.16 -54.21 5.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 60.91 -88.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.11 43.04 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.252 1.025 . . . . 0.0 110.468 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 47' ' ' ALA . 16.7 tppt? -153.49 -56.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 46' ' ' HIS . 9.9 p -95.51 155.24 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.617 0.722 . . . . 0.0 109.654 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -117.15 96.62 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.55 96.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.48 168.48 10.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.804 0.811 . . . . 0.0 110.148 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.13 117.2 19.59 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.551 -170.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.34 116.58 23.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -78.21 122.57 25.84 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.459 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -70.2 -15.46 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.598 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 38.6 t70 -82.09 -50.73 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.525 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -76.43 -37.92 56.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.799 -0.761 . . . . 0.0 111.724 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -113.55 94.51 32.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.115 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -89.57 2.04 5.61 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 121.234 1.289 . . . . 0.0 113.691 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.37 -44.29 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.315 -0.954 . . . . 0.0 112.285 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 t -80.08 -31.93 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.598 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -69.91 -30.66 68.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.599 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 m -80.03 -30.34 39.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.216 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.28 -43.8 90.05 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.509 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -76.21 -36.38 58.64 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.004 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.93 64.63 0.95 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.6 mm -85.07 95.15 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mtm -89.2 -24.56 22.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.859 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.8 t -132.2 91.17 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.962 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.68 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.1 pp -73.57 146.42 86.01 Favored Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.643 172.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 83.6 Cg_endo -81.5 148.5 72.43 Favored 'Cis proline' 0 C--N 1.324 -0.748 0 C-N-CA 123.082 -1.633 . . . . 0.0 111.181 2.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -132.84 124.66 28.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.408 HD13 HD21 ' A' ' 96' ' ' LEU . 18.8 mt -113.98 138.58 50.16 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.63 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.8 mt -145.7 124.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -97.05 137.78 35.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.61 -1.236 . . . . 0.0 109.604 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -116.21 156.37 26.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.685 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.65 ' HB3' ' HZ1' ' A' ' 79' ' ' LYS . 9.3 mtpm? -110.49 -75.05 0.63 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.118 173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.18 51.62 0.76 Allowed Glycine 0 N--CA 1.462 0.385 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.162 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.31 25.45 36.56 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.767 -1.206 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 3.3 tmt_? -146.45 123.76 5.98 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.07 128.14 15.33 Favored 'Trans proline' 0 C--N 1.322 -0.816 0 C-N-CA 121.389 1.393 . . . . 0.0 111.17 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 t -71.76 -56.54 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.557 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -141.83 142.94 33.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.057 0.932 . . . . 0.0 108.698 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -120.47 112.97 19.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.669 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -114.93 152.36 32.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 169.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.66 169.73 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.415 1.102 . . . . 0.0 111.582 -166.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.74 -162.23 52.9 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.874 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -81.27 133.93 35.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.434 1.111 . . . . 0.0 108.573 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.99 108.22 15.24 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -48.81 158.03 1.36 Allowed 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.761 1.641 . . . . 0.0 112.797 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.43 -21.71 51.88 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.929 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.75 -46.28 72.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.727 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -65.48 -45.26 84.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.66 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.8 mt -57.41 -51.03 71.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.18 -39.42 92.64 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.85 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.1 66.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.883 0.849 . . . . 0.0 111.366 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -64.82 -50.93 64.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.37 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.75 -29.84 56.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.148 -173.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.77 -28.11 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.201 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.38 -42.12 83.89 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.578 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.66 -25.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.5 mt -81.7 -32.06 31.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.05 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.066 -177.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.434 HG22 HG22 ' A' ' 52' ' ' VAL . 68.5 p . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 121.851 0.834 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.3 tpt -92.94 165.75 12.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -140.37 119.07 12.39 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.09 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.88 -179.87 4.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.656 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -161.46 156.83 24.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' H ' ' CG ' ' A' ' 60' ' ' ASN . 14.0 p-10 -35.94 -43.3 0.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.88 -55.64 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.739 -0.601 . . . . 0.0 112.19 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -69.21 -22.91 63.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.447 0.641 . . . . 0.0 111.634 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.05 -51.82 62.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.352 0.596 . . . . 0.0 111.755 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -67.96 -29.03 67.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -76.24 -26.64 56.22 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.245 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.95 12.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.75 -0.594 . . . . 0.0 111.528 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 pt -74.97 -33.44 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.931 -172.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.79 -20.42 60.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.92 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.5 -81.47 0.06 OUTLIER Glycine 0 N--CA 1.461 0.338 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.641 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -164.6 -46.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.702 -1.199 . . . . 0.0 113.055 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.03 164.05 19.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.804 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.93 145.05 98.53 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 122.124 1.882 . . . . 0.0 113.463 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -149.99 118.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.0 tp -82.48 128.19 34.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.907 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.07 123.8 58.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -100.15 106.38 18.08 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -83.51 118.96 24.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -151.6 178.99 8.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.263 -0.975 . . . . 0.0 109.921 -169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.06 155.31 43.27 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.051 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.87 63.65 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.664 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -77.84 -2.73 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -63.02 150.26 42.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.262 1.03 . . . . 0.0 111.859 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.08 -66.05 1.32 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.461 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 -9.8 26.25 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 CA-C-N 119.186 1.493 . . . . 0.0 113.948 -175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 m -69.07 -24.48 64.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.108 -0.995 . . . . 0.0 111.092 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.02 -27.36 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.559 -0.713 . . . . 0.0 111.946 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.8 mtp -68.91 -27.49 65.82 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.005 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.7 mtp -77.66 -10.24 59.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.31 35.35 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.383 -0.823 . . . . 0.0 112.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.44 3.61 6.65 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 CA-C-N 121.498 1.571 . . . . 0.0 114.794 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.03 -44.8 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.918 -1.114 . . . . 0.0 110.599 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.79 -36.12 82.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.0 -42.12 97.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.481 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -73.83 -23.86 59.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.762 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 21.7 t80 -76.7 -46.51 25.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.615 0.722 . . . . 0.0 111.789 -176.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.34 -28.96 69.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.97 -11.83 54.63 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.381 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.936 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -81.58 -63.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.86 -74.72 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -84.65 24.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.742 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -142.0 -46.62 0.35 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.024 -0.671 . . . . 0.0 109.695 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 p -95.93 148.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.934 -175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -115.08 82.51 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 166.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.434 HG22 HG22 ' A' ' 2' ' ' THR . 3.8 m -72.77 95.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.41 174.12 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.45 -170.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -137.32 104.75 5.48 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.585 -171.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tt -108.19 129.05 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -83.16 120.1 25.36 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.448 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.67 -20.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.298 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.39 -35.86 71.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.226 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.64 -48.39 8.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.796 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 65.8 m-80 -107.15 116.74 57.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.86 -168.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -100.49 -6.19 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.032 1.155 . . . . 0.0 114.21 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.51 -39.52 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.876 -169.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -76.01 -32.51 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.988 -1.085 . . . . 0.0 111.931 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 t -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.946 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -78.88 -35.57 43.48 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.209 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -61.76 -42.15 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.902 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 78' ' ' PHE . 24.3 m-85 -93.55 -39.34 10.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.42 -0.912 . . . . 0.0 111.678 -174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.91 78.59 1.42 Allowed Glycine 0 N--CA 1.461 0.317 0 C-N-CA 119.57 -1.3 . . . . 0.0 110.211 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.32 119.28 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.9 mtt -91.77 -34.49 14.58 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.571 -0.852 . . . . 0.0 112.394 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -159.08 117.94 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.048 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.52 151.22 82.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.494 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.34 144.84 69.56 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 C-N-CA 123.254 -1.561 . . . . 0.0 111.002 1.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.6 m -130.8 117.14 18.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.95 127.52 53.51 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.561 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.53 136.09 46.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 119.567 -0.853 . . . . 0.0 109.247 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -103.01 132.92 48.92 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 119.591 -0.844 . . . . 0.0 108.987 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.5 m-85 -115.88 143.5 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.698 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -100.31 -76.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.976 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.4 54.08 0.65 Allowed Glycine 0 N--CA 1.461 0.345 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.522 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.12 41.99 16.64 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.712 -1.232 . . . . 0.0 111.291 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -155.73 115.53 2.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.1 Cg_endo -73.39 119.7 6.12 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.273 1.315 . . . . 0.0 110.431 -172.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.45 -50.11 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.089 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -151.01 155.42 39.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.087 0.946 . . . . 0.0 109.726 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -137.96 126.93 24.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.83 0.824 . . . . 0.0 108.935 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 137.66 38.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.91 173.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.637 -164.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.2 -165.55 29.09 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.45 106.56 18.05 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 118.729 -1.188 . . . . 0.0 107.972 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.66 114.5 58.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.7 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.49 172.27 0.24 Allowed 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.885 1.723 . . . . 0.0 114.473 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -54.67 -35.69 63.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.83 170.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.29 -36.76 77.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.167 0.508 . . . . 0.0 111.505 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -73.41 -44.46 58.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.66 0.743 . . . . 0.0 110.503 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 10.9 mt -55.26 -57.67 10.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.506 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.51 -37.4 72.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.23 76.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.056 0.931 . . . . 0.0 110.893 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.19 -48.38 80.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.621 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.69 -28.05 60.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.284 -0.966 . . . . 0.0 112.864 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.27 71.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.206 -0.998 . . . . 0.0 112.434 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.656 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.56 -21.91 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.1 mt -80.11 -36.22 35.65 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.299 -0.96 . . . . 0.0 112.912 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.242 -179.282 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 122.417 1.103 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.3 tpt -102.69 168.49 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.423 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 m -135.95 122.66 21.05 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.888 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.55 171.76 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.809 1.29 . . . . 0.0 110.436 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.7 t -151.76 160.02 43.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' THR . 8.3 p-10 -37.34 -43.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -169.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.98 -51.43 7.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.385 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -65.73 -31.42 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.028 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.11 -48.01 44.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.13 -40.04 96.44 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.425 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -75.08 -30.26 60.9 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.844 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.74 81.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.378 0.609 . . . . 0.0 112.278 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.55 -26.22 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.58 -173.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.67 -15.14 62.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -85.28 0.02 OUTLIER Glycine 0 N--CA 1.462 0.415 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.971 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -167.55 -67.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.157 -1.017 . . . . 0.0 110.257 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -71.98 143.79 86.93 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.657 -173.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -42.43 127.36 4.29 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 122.181 1.921 . . . . 0.0 114.596 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.1 t -117.76 118.42 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.71 131.37 36.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.829 -1.149 . . . . 0.0 109.156 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.9 130.83 61.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.433 171.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 1.4 m-20 -102.46 107.59 18.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -82.06 126.44 32.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -144.26 170.58 15.72 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.936 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.47 153.25 51.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.765 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.44 65.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.398 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -81.53 -12.14 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.647 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.675 ' SG ' HD12 ' A' ' 72' ' ' ILE . 5.4 t -69.05 140.12 54.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.287 1.041 . . . . 0.0 111.463 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.95 -58.71 1.86 Allowed Glycine 0 CA--C 1.521 0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.848 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.92 -1.26 10.96 Favored 'Trans proline' 0 C--N 1.326 -0.615 0 CA-C-N 119.877 1.839 . . . . 0.0 113.931 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.5 m -73.56 -27.15 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.294 -0.962 . . . . 0.0 111.187 172.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.8 -27.13 64.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.237 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.7 mtp -63.24 -47.79 80.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.112 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -86.76 1.49 52.03 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.973 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -51.24 -52.28 60.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 O-C-N 120.874 -1.141 . . . . 0.0 113.084 173.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 94.9 Cg_endo -78.3 -23.75 8.52 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 CA-C-N 121.434 1.548 . . . . 0.0 113.523 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 93' ' ' LYS . 3.9 p -74.78 -25.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.151 -1.019 . . . . 0.0 110.761 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.85 -30.71 62.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.052 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.96 -40.74 98.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.467 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.19 -31.0 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.564 0.697 . . . . 0.0 111.513 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.3 t80 -69.18 -39.86 78.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.623 0.725 . . . . 0.0 111.733 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.54 -25.98 66.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.439 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.55 -27.51 55.94 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.335 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -53.5 14.46 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.124 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -88.66 -49.25 6.98 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.789 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.99 -85.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.92 36.07 0.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.133 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -148.05 -35.67 0.21 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.501 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.64 141.36 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.277 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -104.23 114.7 29.12 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.45 95.94 5.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.67 171.75 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.019 0.914 . . . . 0.0 111.782 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -126.74 117.45 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.617 -173.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -114.69 123.24 48.78 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -87.18 113.37 22.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.102 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.65 -16.94 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.3 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.73 -42.36 64.2 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.025 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -75.15 -45.6 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.501 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -103.68 113.72 65.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.922 -170.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -95.28 -15.46 0.53 Allowed 'Trans proline' 0 C--N 1.326 -0.652 0 C-N-CA 121.082 1.188 . . . . 0.0 113.503 -170.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -88.75 -35.83 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.127 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.5 m -64.4 -39.32 93.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.54 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -69.14 -26.21 64.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.979 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.9 t -80.71 -32.86 35.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.85 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -62.61 -47.84 82.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.257 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.08 -29.27 16.64 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.765 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.07 80.37 1.21 Allowed Glycine 0 N--CA 1.461 0.312 0 C-N-CA 119.403 -1.38 . . . . 0.0 110.098 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.51 HG22 ' HG1' ' A' ' 74' ' ' THR . 38.2 mm -91.0 101.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.9 mtt -79.97 -33.36 39.55 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.211 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -153.14 111.59 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.112 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.675 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -78.94 150.66 75.4 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.789 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.44 139.11 42.71 Favored 'Cis proline' 0 C--N 1.326 -0.638 0 C-N-CA 123.22 -1.575 . . . . 0.0 111.294 4.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.51 ' HG1' HG22 ' A' ' 69' ' ' ILE . 17.4 m -117.6 123.85 47.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.855 0.836 . . . . 0.0 109.412 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.3 122.81 42.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.67 125.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.458 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -95.47 127.5 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CE2' ' HG3' ' A' ' 83' ' ' PRO . 52.9 m-85 -109.59 149.82 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.82 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -141.74 106.97 4.98 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.43 68.28 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 119.783 -1.199 . . . . 0.0 111.945 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.68 52.39 20.69 Favored Glycine 0 N--CA 1.46 0.276 0 C-N-CA 119.909 -1.139 . . . . 0.0 111.047 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -156.46 105.69 2.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -175.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 71.8 Cg_exo -63.62 120.14 7.44 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.494 1.462 . . . . 0.0 112.223 -176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.36 -43.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.591 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -142.66 157.0 45.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.007 0.908 . . . . 0.0 109.562 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -137.7 102.79 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.451 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.721 ' HB2' HE22 ' A' ' 91' ' ' GLN . 3.3 mp -94.73 163.94 13.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.062 172.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.83 138.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 109.36 -176.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.17 178.78 30.24 Favored Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.869 -1.158 . . . . 0.0 111.319 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -73.35 130.66 40.65 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.037 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.721 HE22 ' HB2' ' A' ' 87' ' ' LEU . 10.9 pt20 -133.11 121.27 16.65 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -54.45 168.25 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.921 1.747 . . . . 0.0 113.799 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 32.9 ttpt -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.633 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -69.26 -42.03 76.13 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.228 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.818 0.818 . . . . 0.0 110.67 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -63.83 -51.21 65.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.743 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.32 -46.01 85.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -46.12 86.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.97 0.89 . . . . 0.0 111.346 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.518 HE21 HD23 ' A' ' 87' ' ' LEU . 3.9 tp-100 -64.26 -54.52 32.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.279 -177.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -26.84 62.72 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.17 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.09 65.85 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.946 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.82 -42.23 95.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.975 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.55 -27.31 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.609 -0.836 . . . . 0.0 113.152 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.45 -18.1 61.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.811 -178.046 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 122.098 0.951 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -85.17 170.9 12.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m -134.37 110.07 9.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.013 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.05 178.46 5.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.494 1.14 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -156.48 169.8 23.79 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -39.33 -50.7 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.69 -37.97 13.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.501 -0.879 . . . . 0.0 112.478 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -70.4 -33.35 71.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.77 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -54.52 -54.11 45.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.015 0.436 . . . . 0.0 111.83 176.144 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.04 -35.67 81.0 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.304 -0.959 . . . . 0.0 111.569 -175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -74.65 -30.94 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.823 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.09 90.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.463 0.649 . . . . 0.0 112.108 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.6 pt -76.48 -28.52 17.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.852 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -68.66 -11.11 59.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.9 -81.87 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.071 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -165.14 -50.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.854 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.6 172.37 4.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.152 -1.019 . . . . 0.0 112.587 -166.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -59.85 140.13 91.62 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 C-N-CA 121.948 1.766 . . . . 0.0 114.158 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -144.76 112.55 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 HD21 HG13 ' A' ' 52' ' ' VAL . 30.7 tp -83.04 125.7 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.914 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 10' ' ' PHE . 89.6 t -103.57 127.7 57.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 C-N-CA 119.234 -0.986 . . . . 0.0 108.406 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' HA ' HD13 ' A' ' 75' ' ' LEU . 8.1 m-20 -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.41 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 31.3 m-85 -89.8 126.8 35.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -155.0 177.82 10.89 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.848 -171.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.59 154.9 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.889 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.03 -33.73 70.6 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.259 -0.976 . . . . 0.0 111.411 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -74.5 -10.78 59.89 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.967 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.562 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.8 t -66.43 138.58 57.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.115 0.959 . . . . 0.0 111.487 -175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.3 -57.35 1.78 Allowed Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.145 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 120.169 1.985 . . . . 0.0 113.591 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 m -66.04 -20.53 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.164 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -71.29 -24.94 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.694 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.2 mtt -60.49 -52.35 65.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.898 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ptp -79.03 -2.0 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.59 -0.844 . . . . 0.0 113.086 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.52 -59.42 9.51 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 120.963 -1.086 . . . . 0.0 112.454 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -69.42 -22.07 34.17 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 121.568 1.596 . . . . 0.0 113.093 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.29 -44.46 97.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.739 172.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 HD12 ' HZ3' ' A' ' 54' ' ' LYS . 54.4 mt -75.42 -30.84 60.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.133 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.362 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.48 -36.39 80.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.543 0.687 . . . . 0.0 111.092 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 17.2 t80 -69.39 -39.35 78.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.708 0.766 . . . . 0.0 112.331 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.58 -29.55 69.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.699 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.5 -5.44 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.628 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.09 -53.21 8.66 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.129 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -92.24 -48.77 6.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 68.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 167.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.03 32.67 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.626 0.727 . . . . 0.0 111.275 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 47' ' ' ALA . 17.5 tppt? -154.16 -45.18 0.09 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.851 -0.74 . . . . 0.0 109.85 -171.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.67 145.47 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.268 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -125.19 89.05 2.98 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 170.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 5.2 m -80.58 100.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 119.205 -0.998 . . . . 0.0 108.463 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.76 -175.86 3.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.595 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HZ3' HD12 ' A' ' 39' ' ' LEU . 66.9 mmtt -137.79 111.8 8.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.051 -173.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -106.35 123.28 47.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -78.68 109.62 13.06 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.069 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.95 -18.0 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.439 -0.904 . . . . 0.0 112.456 -172.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.3 -36.16 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.292 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.92 -47.58 18.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.361 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -96.3 117.36 66.22 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.2 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -102.64 6.89 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 120.896 1.064 . . . . 0.0 113.906 -169.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -92.29 -39.66 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.869 -173.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 t -78.31 -28.03 47.35 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.069 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -62.92 -31.02 72.01 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 112.094 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -80.09 -29.16 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.593 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.4 -47.0 68.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.29 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.84 -21.06 16.52 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.347 -0.941 . . . . 0.0 112.641 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.69 88.58 0.56 Allowed Glycine 0 N--CA 1.461 0.348 0 C-N-CA 119.368 -1.396 . . . . 0.0 110.32 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mm -107.28 100.11 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -109.61 10.12 25.02 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.535 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.6 t -163.64 119.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.715 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.562 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.4 pp -100.64 150.81 37.31 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.563 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.72 141.4 29.47 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 122.918 -1.701 . . . . 0.0 111.877 5.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.415 HG23 HG23 ' A' ' 88' ' ' ILE . 2.3 m -111.97 123.1 49.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.838 0.828 . . . . 0.0 108.887 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.9 mm? -105.26 127.51 52.98 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.5 mt -136.67 127.04 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 103' ' ' VAL . 3.2 tm? -97.54 129.33 44.7 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.646 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -114.48 159.46 20.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.065 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -130.47 -72.92 0.56 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.654 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.64 57.48 0.43 Allowed Glycine 0 N--CA 1.462 0.387 0 C-N-CA 119.428 -1.368 . . . . 0.0 111.026 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.76 41.35 83.51 Favored Glycine 0 N--CA 1.462 0.367 0 C-N-CA 119.691 -1.242 . . . . 0.0 111.991 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.6 122.73 1.45 Allowed Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.03 123.86 8.18 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.217 1.278 . . . . 0.0 110.052 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.33 -39.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.865 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -145.41 151.01 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.353 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -130.24 113.53 14.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.894 0.854 . . . . 0.0 109.418 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD12 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -129.99 150.13 51.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.113 0.958 . . . . 0.0 108.609 171.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.462 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.65 168.39 18.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 122.12 0.962 . . . . 0.0 110.778 -167.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.69 177.12 51.81 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.795 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.78 124.22 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.203 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.595 HE22 HD12 ' A' ' 87' ' ' LEU . 5.3 pt20 -128.04 127.51 23.84 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -47.74 164.2 0.17 Allowed 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 122.086 1.857 . . . . 0.0 114.918 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -63.57 -29.24 70.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.517 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -68.39 -38.22 81.13 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.904 -0.719 . . . . 0.0 111.027 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -64.58 -43.3 94.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.114 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.1 mt -62.03 -49.02 77.67 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.661 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.1 -38.87 92.91 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.297 -0.961 . . . . 0.0 112.16 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.18 80.21 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.579 -0.849 . . . . 0.0 111.048 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -58.57 -52.42 65.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.88 -35.32 64.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.376 -0.93 . . . . 0.0 112.473 -173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.72 -27.46 67.93 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 120.73 -1.231 . . . . 0.0 112.598 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.82 -45.29 75.12 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.272 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.423 HG23 ' HG ' ' A' ' 77' ' ' LEU . 29.4 m -83.82 -24.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD23 ' HG3' ' A' ' 49' ' ' LYS . 95.9 mt -75.43 -40.4 57.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.823 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.239 179.113 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 122.211 1.005 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -87.61 163.63 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.056 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.7 m -132.98 118.95 19.46 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.379 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.31 172.64 6.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.815 1.293 . . . . 0.0 110.178 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.6 t -154.12 158.2 40.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.3 p-10 -34.91 -45.87 0.28 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.95 6.36 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.439 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -67.93 -28.55 67.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -51.26 -51.33 55.11 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -67.62 -34.86 77.85 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.599 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.23 71.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.323 0.582 . . . . 0.0 112.159 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.2 pt -76.83 -28.29 17.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.274 -173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.99 -14.3 61.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.56 -87.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.898 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.16 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.137 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.28 142.09 97.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.921 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -41.4 125.66 2.7 Favored 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 122.07 1.847 . . . . 0.0 114.151 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.94 115.97 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 tt -86.48 112.2 21.29 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.3 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.62 126.97 41.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.259 -0.976 . . . . 0.0 108.499 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' CB ' ' HZ3' ' A' ' 54' ' ' LYS . 3.6 m-20 -100.51 107.37 19.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.4 125.64 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -149.76 170.05 19.64 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.48 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.87 46.23 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.411 173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -30.27 66.9 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.289 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -82.35 -9.65 59.38 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.688 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' SG ' HD12 ' A' ' 72' ' ' ILE . 6.9 t -68.92 141.07 55.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.219 1.009 . . . . 0.0 111.466 -175.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.51 -60.2 1.65 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.91 -5.05 16.49 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 CA-C-N 119.716 1.758 . . . . 0.0 113.894 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -70.83 -25.17 62.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.369 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.88 -26.34 64.13 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.327 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.6 mtp -66.88 -29.16 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.332 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.573 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 13.5 mtp -77.84 -16.61 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.577 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -49.68 -53.62 39.72 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 60.6 Cg_endo -70.79 -36.49 7.99 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 CA-C-N 121.641 1.622 . . . . 0.0 113.62 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.8 -36.36 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.306 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD11 ' HZ2' ' A' ' 54' ' ' LYS . 84.0 mt -74.13 -30.25 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.688 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.2 -38.22 78.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.282 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.67 -30.31 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.182 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 29.6 t80 -79.37 -40.52 29.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.453 0.644 . . . . 0.0 112.318 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.91 74.72 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.851 -0.739 . . . . 0.0 111.558 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -85.65 -10.65 55.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.782 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -57.06 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.307 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.408 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 88.9 m-70 -90.22 -58.61 2.44 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.814 -0.754 . . . . 0.0 108.989 -177.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.04 -69.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.8 27.93 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.692 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.4 tppt? -145.35 -40.7 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.475 -171.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.96 139.36 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.704 0.764 . . . . 0.0 110.279 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 m -104.87 106.42 16.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.21 96.66 6.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.64 -178.73 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.027 0.918 . . . . 0.0 111.786 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HZ2' HD11 ' A' ' 39' ' ' LEU . 68.8 mmtt -140.57 111.18 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.054 -172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.25 121.36 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -84.16 115.36 22.37 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.708 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.13 -18.88 19.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.389 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.6 -44.97 40.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.294 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.33 -39.39 62.88 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.556 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -116.05 95.74 45.36 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.57 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -93.44 3.79 3.2 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.183 1.256 . . . . 0.0 113.532 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.19 -40.01 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.445 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 t -79.44 -28.78 41.65 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.051 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -66.74 -35.07 79.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.672 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.3 t -79.08 -29.19 43.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.323 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.13 -48.88 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.099 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -80.41 -36.59 33.58 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.693 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.63 77.21 1.31 Allowed Glycine 0 N--CA 1.461 0.312 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.1 121.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.831 0.824 . . . . 0.0 109.011 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.43 -51.2 68.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.065 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -170.42 127.45 0.8 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.409 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.505 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -73.08 145.56 86.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.755 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 90.4 Cg_endo -80.18 141.38 57.18 Favored 'Cis proline' 0 C--N 1.324 -0.732 0 C-N-CA 123.071 -1.637 . . . . 0.0 111.26 2.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -124.33 124.03 41.5 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.91 127.25 53.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.251 -0.979 . . . . 0.0 109.68 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.79 129.89 55.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -96.52 124.54 40.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.815 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -111.36 135.77 51.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.079 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.83 -76.03 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.873 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.85 50.89 0.74 Allowed Glycine 0 N--CA 1.463 0.436 0 C-N-CA 119.524 -1.322 . . . . 0.0 110.55 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.62 43.99 11.3 Favored Glycine 0 N--CA 1.46 0.289 0 C-N-CA 119.733 -1.222 . . . . 0.0 111.086 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -158.36 119.27 1.9 Allowed Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.84 119.63 5.48 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.143 1.229 . . . . 0.0 110.8 -173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.75 -41.63 21.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -143.33 155.89 44.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.241 1.019 . . . . 0.0 110.061 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -140.3 108.42 5.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.845 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.499 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.4 pt? -122.74 153.01 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.485 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.94 167.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 122.13 0.967 . . . . 0.0 111.245 -167.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.36 175.43 44.82 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.95 -1.119 . . . . 0.0 110.323 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -73.92 123.68 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.598 -1.241 . . . . 0.0 108.844 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.499 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.6 pt20 -127.38 112.51 21.23 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.112 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -61.63 175.71 1.57 Allowed 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 121.41 1.407 . . . . 0.0 112.775 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -29.3 68.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.539 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.49 -29.76 70.46 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.188 -1.005 . . . . 0.0 111.325 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.33 -42.0 23.76 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.958 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.89 -51.96 67.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.547 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HG2' ' HE2' ' A' ' 46' ' ' HIS . 45.5 mt-10 -66.09 -45.04 82.63 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.547 -168.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.77 76.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.076 0.941 . . . . 0.0 110.908 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.32 -45.83 87.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.127 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HA ' HG23 ' A' ' 103' ' ' VAL . 61.6 mt -85.71 -25.33 26.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -169.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.29 68.1 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.808 -1.182 . . . . 0.0 111.627 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.74 -44.6 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.654 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 100' ' ' LEU . 27.1 m -86.81 -27.34 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.439 HD22 ' HG3' ' A' ' 49' ' ' LYS . 85.1 mt -74.36 -29.54 61.61 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.574 -0.85 . . . . 0.0 112.02 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.864 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 122.155 0.978 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -94.07 164.25 13.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.782 176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 m -131.39 116.78 17.99 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.216 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mp -104.47 169.56 8.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.986 1.374 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -153.58 166.95 31.16 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -38.45 -44.34 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.35 8.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.446 -0.784 . . . . 0.0 112.414 -174.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.74 -27.24 66.62 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.156 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 5' ' ' LEU . 66.6 t80 -55.52 -47.25 76.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.186 0.517 . . . . 0.0 112.207 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.38 -35.61 81.45 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.449 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.27 -26.8 52.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.973 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.71 51.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.311 0.577 . . . . 0.0 112.178 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 pt -74.92 -25.78 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.403 -174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -74.57 -10.87 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.53 -87.64 0.02 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.253 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.33 -69.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -78.31 167.94 31.46 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.141 -169.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.81 136.35 65.45 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.955 1.77 . . . . 0.0 113.845 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -132.44 114.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 tt -85.61 117.44 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.015 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.95 131.19 37.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HA ' HD21 ' A' ' 75' ' ' LEU . 2.5 m-20 -103.45 106.22 16.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -82.69 122.15 27.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -152.84 175.8 12.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.58 -0.848 . . . . 0.0 109.184 -170.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.87 44.77 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.619 172.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.48 63.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.607 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -85.81 -2.29 58.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.527 173.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.63 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.4 t -64.28 154.52 34.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.285 1.041 . . . . 0.0 111.834 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -100.51 -64.87 0.8 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.972 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.6 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 CA-C-N 119.23 1.515 . . . . 0.0 114.187 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 m -68.58 -29.51 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.948 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.23 -27.94 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.1 -0.64 . . . . 0.0 112.036 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.22 -45.54 87.8 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.074 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -85.48 1.7 47.74 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.056 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.07 -52.45 52.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 121.141 -0.974 . . . . 0.0 112.797 173.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 73.4 Cg_endo -73.52 -23.32 17.36 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-N 121.484 1.566 . . . . 0.0 113.975 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.3 m -73.62 -35.9 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.864 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.61 -38.15 90.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.56 -41.41 88.68 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.689 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.67 -29.15 70.42 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.084 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 15.7 t80 -76.55 -43.08 40.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.635 0.731 . . . . 0.0 112.166 -173.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.84 69.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.461 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.95 -5.45 53.11 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.75 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.25 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.408 -0.807 . . . . 0.0 110.079 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -89.06 -51.37 5.64 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.794 -0.762 . . . . 0.0 108.945 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 69.43 -79.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -81.47 26.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.754 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HG3' HD21 ' A' ' 104' ' ' LEU . 17.9 tppt? -141.29 -40.89 0.38 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.697 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.2 140.58 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.702 0.763 . . . . 0.0 110.198 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 m -110.21 107.58 17.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 168.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.31 94.66 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.9 -179.44 4.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.0 0.905 . . . . 0.0 111.661 -169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 23' ' ' ASP . 71.8 mmtt -140.52 114.32 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.768 -173.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.58 125.13 49.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -83.71 125.31 31.75 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.3 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.54 -26.23 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.853 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -79.32 -45.18 20.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.944 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.92 -40.75 46.15 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.92 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -111.52 104.84 56.53 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.855 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -93.26 -6.71 2.66 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.234 1.289 . . . . 0.0 113.908 -170.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -79.77 -44.84 19.92 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.536 -171.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -30.72 31.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.874 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -67.52 -32.21 72.85 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.587 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -80.06 -30.23 39.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.577 -0.849 . . . . 0.0 111.219 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.57 -47.0 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.329 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.42 -33.6 32.08 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.46 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.08 71.76 1.25 Allowed Glycine 0 N--CA 1.46 0.292 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mm -83.34 106.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.1 mtt -86.05 -25.86 25.67 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.457 -175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -156.93 115.02 3.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.715 -1.194 . . . . 0.0 110.755 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.63 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -82.05 146.35 55.11 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.816 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.5 130.68 16.52 Favored 'Cis proline' 0 C--N 1.325 -0.67 0 C-N-CA 123.129 -1.613 . . . . 0.0 111.536 4.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.3 m -106.31 116.75 32.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 23' ' ' ASP . 12.7 mt -102.72 126.46 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.707 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.53 126.68 58.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -94.15 125.09 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.634 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.36 146.79 32.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -106.47 -75.11 0.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.907 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.86 56.94 0.5 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.494 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.53 43.73 35.83 Favored Glycine 0 N--CA 1.461 0.347 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.206 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.46 122.38 1.77 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -176.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.74 122.2 8.33 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.25 1.3 . . . . 0.0 111.001 -174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.56 -58.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.171 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -145.54 167.79 22.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 0.0 109.926 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -139.93 117.1 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.285 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -127.56 151.66 48.61 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 167.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -137.94 166.49 23.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.29 -165.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -175.35 47.79 Favored Glycine 0 N--CA 1.46 0.263 0 C-N-CA 119.823 -1.179 . . . . 0.0 110.809 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -74.9 129.44 37.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.304 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.454 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.9 pt20 -133.14 120.06 15.95 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -54.77 163.15 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.541 1.494 . . . . 0.0 112.674 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -61.32 -29.02 69.62 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.151 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -73.3 -40.59 64.4 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.954 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -66.73 -37.06 83.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.335 1.064 . . . . 0.0 111.104 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.551 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 42.3 tp -71.84 -38.45 70.12 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.204 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.75 -45.32 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.82 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.835 0.826 . . . . 0.0 111.227 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.95 -48.34 73.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.802 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 55.4 mt -81.79 -21.81 37.51 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.674 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.88 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.436 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.07 -43.15 79.26 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.73 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.11 -29.38 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.493 -0.883 . . . . 0.0 113.103 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 49' ' ' LYS . 84.8 mt -76.73 -30.11 56.48 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.239 -173.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.142 -179.238 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 122.158 0.98 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -93.69 164.56 13.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.179 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 m -134.56 118.23 17.04 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.66 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.56 174.86 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.843 1.306 . . . . 0.0 110.065 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.5 t -159.06 160.82 36.24 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.9 p-10 -34.28 -50.66 0.42 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -170.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.13 -45.6 12.82 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.59 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.77 -25.86 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.18 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.24 -47.45 72.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.32 -39.57 85.88 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.237 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -68.0 -35.56 78.51 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.711 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.31 0.576 . . . . 0.0 112.138 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.6 pt -77.07 -27.94 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.916 -0.714 . . . . 0.0 112.415 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.82 -10.69 60.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.62 -89.57 0.02 OUTLIER Glycine 0 N--CA 1.461 0.349 0 C-N-CA 119.809 -1.186 . . . . 0.0 112.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.1 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.004 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.19 161.09 80.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.52 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.15 136.37 72.96 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.744 1.629 . . . . 0.0 112.194 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.29 109.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -86.23 110.14 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.518 -1.273 . . . . 0.0 108.334 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.51 125.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 119.389 -0.924 . . . . 0.0 109.139 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.49 104.39 16.42 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -81.52 121.37 26.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -149.59 179.73 7.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.802 0.811 . . . . 0.0 109.518 -171.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.69 158.29 43.8 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.112 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.8 65.43 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.037 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -81.93 -2.99 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.63 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' HD12 ' A' ' 72' ' ' ILE . 18.2 t -65.46 141.84 58.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.383 1.087 . . . . 0.0 112.044 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.97 -59.73 1.75 Allowed Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.829 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.96 -13.0 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 119.806 1.803 . . . . 0.0 113.797 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.1 m -68.62 -24.96 64.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.271 -0.971 . . . . 0.0 111.144 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.74 -29.03 70.0 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.278 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.67 -45.11 91.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.914 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 3.4 ptm -86.96 3.05 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.599 -0.84 . . . . 0.0 113.248 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -53.14 -52.64 63.91 Favored Pre-proline 0 C--N 1.322 -0.604 0 O-C-N 120.743 -1.223 . . . . 0.0 111.727 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.2 Cg_endo -77.3 -26.74 7.16 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 CA-C-N 121.275 1.491 . . . . 0.0 113.505 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 35' ' ' MET . 1.0 OUTLIER -65.98 -34.53 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.238 -0.914 . . . . 0.0 111.173 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD11 ' HZ3' ' A' ' 54' ' ' LYS . 70.3 mt -73.92 -33.29 63.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.452 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -65.41 -37.18 86.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.802 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.92 -35.39 80.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.715 0.769 . . . . 0.0 110.869 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 39.0 t80 -74.16 -44.51 53.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.487 0.66 . . . . 0.0 112.509 -174.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.18 66.96 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.819 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.59 -33.59 60.59 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.884 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -55.07 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.584 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -85.03 -54.12 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.361 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 65.74 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 169.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -85.9 36.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.993 0.901 . . . . 0.0 110.597 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 47' ' ' ALA . 17.4 tppt? -146.83 -39.57 0.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.557 -175.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.03 144.12 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 0.0 109.924 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 m -109.9 101.65 10.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -85.16 95.49 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.73 -179.1 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.795 0.807 . . . . 0.0 111.729 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.556 ' HZ3' HD11 ' A' ' 39' ' ' LEU . 68.1 mmtt -142.78 115.11 8.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.209 -172.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.02 127.34 53.71 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.94 116.71 23.51 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.356 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.8 -17.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.06 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.14 -45.96 17.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.731 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.99 -38.51 52.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.897 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -109.98 107.32 58.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.299 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -95.06 -6.9 1.77 Allowed 'Trans proline' 0 C--N 1.327 -0.577 0 C-N-CA 121.185 1.256 . . . . 0.0 113.859 -169.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.79 -44.98 16.23 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.341 -0.943 . . . . 0.0 112.238 -170.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -80.8 -27.29 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.798 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -69.94 -30.47 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.393 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -80.18 -34.39 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.905 174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.72 -45.16 95.32 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.46 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.6 -31.21 18.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.437 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.6 68.96 1.36 Allowed Glycine 0 N--CA 1.46 0.278 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.259 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.84 105.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.8 mtt -91.53 -24.75 19.53 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.449 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -146.02 103.82 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.484 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.661 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -78.23 150.43 77.28 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.503 173.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.38 146.05 76.03 Favored 'Cis proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.173 -1.595 . . . . 0.0 110.823 1.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.6 m -125.45 124.26 41.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.102 0.953 . . . . 0.0 109.263 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.22 122.55 44.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mt -135.06 130.84 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.041 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.41 ' HG ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -92.88 130.89 38.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 93.1 m-85 -121.09 131.88 54.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -106.62 -68.38 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.068 -1.053 . . . . 0.0 110.353 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.13 50.15 0.81 Allowed Glycine 0 N--CA 1.462 0.392 0 C-N-CA 119.591 -1.29 . . . . 0.0 111.021 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.03 44.3 12.16 Favored Glycine 0 N--CA 1.461 0.367 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.671 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -165.38 126.16 1.34 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.415 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 55.2 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 C-N-CA 121.268 1.312 . . . . 0.0 110.839 -175.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.64 -51.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.605 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.76 161.85 37.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.993 0.901 . . . . 0.0 109.643 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -141.27 118.41 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.935 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD23 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -124.68 159.06 31.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 171.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.462 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.02 156.48 25.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.97 0.891 . . . . 0.0 110.781 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.19 -168.89 31.47 Favored Glycine 0 N--CA 1.462 0.385 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.609 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -81.48 132.75 35.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.305 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.451 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -132.53 114.03 14.37 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.42 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -57.79 171.47 1.5 Allowed 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 121.974 1.783 . . . . 0.0 113.384 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.91 -25.51 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.886 172.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.97 -36.94 85.18 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.549 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HB2' ' HB2' ' A' ' 91' ' ' GLN . 67.8 mm-40 -79.56 -39.99 30.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.11 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mm? -58.34 -56.75 18.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.455 174.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.795 -169.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.33 86.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.955 0.883 . . . . 0.0 111.192 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.655 HE21 HD23 ' A' ' 87' ' ' LEU . 4.9 tp60 -62.3 -47.24 85.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.077 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HA ' HG21 ' A' ' 103' ' ' VAL . 3.9 mm? -73.99 -28.86 61.67 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.612 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.13 68.38 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 120.847 -1.158 . . . . 0.0 111.969 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.66 -41.11 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.685 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 100' ' ' LEU . 33.7 m -84.67 -31.51 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.729 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.07 -29.81 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.944 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.919 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p . . . . . 0 N--CA 1.463 0.179 0 CA-C-O 122.028 0.918 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 tpt -91.02 162.77 14.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.1 m -130.69 113.15 13.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.94 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.49 170.75 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.262 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.68 159.49 43.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.6 p-10 -38.06 -43.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.509 -0.744 . . . . 0.0 112.194 -175.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.26 -30.52 71.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.342 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.84 -52.98 21.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.307 0.575 . . . . 0.0 112.42 175.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.771 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -77.88 -34.62 51.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.277 -0.969 . . . . 0.0 111.232 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.18 82.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 pt -72.47 -23.49 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.091 -0.643 . . . . 0.0 112.645 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -76.33 -13.71 60.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.28 -85.0 0.02 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.962 -173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.24 -58.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 118.799 -1.161 . . . . 0.0 112.046 -175.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HZ3' ' HB3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -97.77 172.89 4.43 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.697 -169.814 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -55.94 139.44 84.53 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 C-N-CA 121.763 1.642 . . . . 0.0 113.986 -177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -134.08 113.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 tp -87.4 114.84 24.37 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.345 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.3 t -97.32 130.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 118.784 -1.167 . . . . 0.0 108.665 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 117.56 34.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -94.34 118.85 32.22 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -150.8 173.11 14.6 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.795 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.56 153.69 48.71 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.305 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.808 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -86.7 1.79 50.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 72' ' ' ILE . 8.3 t -72.96 146.0 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.334 1.064 . . . . 0.0 111.914 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.56 -59.78 1.5 Allowed Glycine 0 CA--C 1.521 0.46 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.833 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.43 -6.66 16.5 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 119.672 1.736 . . . . 0.0 113.787 -172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 m -70.4 -24.32 62.92 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.091 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -63.75 -27.07 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.67 -44.97 94.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.738 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.542 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.8 ptm -85.01 4.75 32.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.49 -49.99 51.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 173.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 71.9 Cg_endo -77.0 -30.23 4.61 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 121.591 1.604 . . . . 0.0 113.934 -176.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.37 -33.8 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 118.687 -1.205 . . . . 0.0 110.734 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -63.11 -34.72 78.21 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.22 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.13 -30.27 67.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.203 173.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 19.0 t80 -72.79 -45.82 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.494 0.664 . . . . 0.0 112.371 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.66 69.62 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.273 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -80.91 -10.26 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.311 -0.956 . . . . 0.0 111.841 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.36 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.442 -0.786 . . . . 0.0 110.724 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 86.8 m-70 -85.13 -51.07 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.258 -177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 66.22 -84.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 168.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.8 35.29 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.935 0.874 . . . . 0.0 111.264 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 47' ' ' ALA . 15.7 tppt? -144.91 -44.26 0.23 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -170.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.73 166.26 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.588 1.185 . . . . 0.0 111.308 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -127.15 91.47 3.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 165.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -81.15 93.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.32 174.25 6.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.807 0.813 . . . . 0.0 111.3 -170.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -133.32 113.01 12.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.666 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -114.39 127.09 55.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -84.42 120.76 26.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.818 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.1 -23.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 119.512 -0.875 . . . . 0.0 112.203 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.25 -43.26 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.947 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.16 -36.79 29.76 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.784 -0.766 . . . . 0.0 112.18 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -113.75 102.21 54.58 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.402 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -97.07 -9.4 0.74 Allowed 'Trans proline' 0 C--N 1.326 -0.615 0 C-N-CA 120.99 1.127 . . . . 0.0 114.144 -169.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.35 -43.22 28.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.098 -1.041 . . . . 0.0 112.063 -172.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.6 t -77.41 -36.8 52.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.237 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 t -67.93 -30.18 69.44 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.5 t -79.62 -32.13 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.081 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -64.07 -43.27 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.205 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -81.68 -36.59 28.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.75 72.15 1.12 Allowed Glycine 0 N--CA 1.459 0.223 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.009 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.0 88.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 74.8 mtm -85.78 -11.84 52.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.608 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -148.4 87.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.815 -174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -70.37 147.62 95.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.865 171.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.78 146.5 81.76 Favored 'Cis proline' 0 C--N 1.324 -0.721 0 C-N-CA 123.409 -1.496 . . . . 0.0 111.74 3.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.5 m -138.96 126.04 21.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -109.96 140.85 43.5 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.592 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.5 mt -134.69 125.24 45.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.81 125.32 41.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.294 -0.963 . . . . 0.0 108.653 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -107.59 137.32 45.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -106.65 -67.29 0.95 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.524 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.47 55.38 0.55 Allowed Glycine 0 N--CA 1.462 0.401 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.65 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.98 39.76 45.36 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.826 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -163.93 132.02 2.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.4 119.1 5.12 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.307 1.338 . . . . 0.0 110.522 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.54 -46.51 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.43 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -148.24 117.09 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.026 0.917 . . . . 0.0 108.976 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.38 101.86 13.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.758 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.3 pt? -96.46 148.25 22.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.532 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.27 157.08 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.982 0.896 . . . . 0.0 110.645 -168.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.78 -165.89 38.81 Favored Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.582 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -78.19 120.35 22.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.193 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.542 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -117.47 108.85 42.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -58.04 172.66 1.16 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 121.866 1.711 . . . . 0.0 113.405 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.69 -38.84 70.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.211 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -64.06 -31.14 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.36 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.42 -42.92 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.562 173.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.612 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -54.35 -52.85 60.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.912 174.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.1 -40.85 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.453 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.25 76.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.882 0.848 . . . . 0.0 110.972 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.016 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 61.1 mt -90.22 -30.19 17.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -167.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.41 70.53 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.753 -1.217 . . . . 0.0 111.439 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.62 -44.09 91.64 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.352 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.62 -26.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD23 ' HG3' ' A' ' 49' ' ' LYS . 88.1 mt -76.74 -28.36 55.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.58 -173.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.708 -178.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 121.978 0.894 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ttt -97.42 161.34 13.83 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.797 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -135.37 121.14 19.63 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.106 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.13 175.5 5.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.531 1.158 . . . . 0.0 110.129 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.2 t -157.28 159.18 37.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' THR . 17.8 p-10 -36.46 -44.74 0.45 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.79 -48.75 11.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.458 -0.776 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -70.98 -29.98 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.12 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -48.81 -45.39 40.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.756 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.53 -32.24 70.14 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.332 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -49.78 36.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.323 0.582 . . . . 0.0 112.143 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 pt -74.25 -26.02 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.926 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -72.1 -7.94 51.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.85 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.461 0.343 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.108 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -147.89 -53.34 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.911 -1.116 . . . . 0.0 112.531 -173.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 16.0 ptpt -133.97 -177.63 0.73 Allowed Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.68 -169.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 22.2 Cg_exo -52.58 135.69 56.12 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.167 1.911 . . . . 0.0 116.075 -173.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.19 121.61 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -82.16 134.34 35.31 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.36 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.58 128.63 66.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.49 ' CB ' ' HZ1' ' A' ' 54' ' ' LYS . 1.1 m-20 -102.53 111.76 24.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -86.08 116.63 24.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -146.28 175.65 10.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.763 -169.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.17 153.32 43.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.35 69.14 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.97 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -82.64 1.33 38.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.66 132.67 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.316 1.055 . . . . 0.0 111.899 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -61.76 2.9 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.405 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -67.75 -15.54 44.48 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 CA-C-N 119.774 1.787 . . . . 0.0 114.227 -174.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 15.9 m -68.17 -14.58 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.702 174.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.94 -39.26 77.64 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.783 -0.573 . . . . 0.0 112.436 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.3 mtp -67.34 -41.89 84.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.572 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.425 ' HA ' HG21 ' A' ' 38' ' ' VAL . 56.0 mtp -74.76 -9.19 58.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.9 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.26 21.9 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.75 -28.26 8.14 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 CA-C-N 121.623 1.615 . . . . 0.0 113.906 -177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 35' ' ' MET . 34.7 m -72.78 -32.63 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.723 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.85 -36.03 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.281 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.0 -45.28 89.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.678 175.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.22 -29.51 70.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.36 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 17.0 t80 -66.84 -43.0 84.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.57 0.7 . . . . 0.0 111.945 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -27.16 67.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.905 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -89.58 -10.36 46.33 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.842 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.59 -56.5 3.98 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.701 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 80.9 m-70 -82.0 -44.62 16.43 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.11 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 73.32 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 168.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.84 -37.2 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.173 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' HD21 ' A' ' 104' ' ' LEU . 18.3 tppt? -65.05 -31.04 72.07 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.927 -0.709 . . . . 0.0 111.903 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 46' ' ' HIS . 9.8 p -115.3 151.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.742 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -123.75 104.49 9.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 t -84.54 95.92 4.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.33 -175.46 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.802 0.811 . . . . 0.0 110.624 -173.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' HZ1' ' CB ' ' A' ' 23' ' ' ASP . 70.4 mmtt -142.28 119.0 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.858 -173.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.75 122.59 40.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 171.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.75 126.45 32.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.887 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.94 -33.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.744 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.73 -35.58 79.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.965 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.33 -51.59 6.86 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.937 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -102.4 116.39 62.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.314 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -101.51 -11.46 0.19 Allowed 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 114.71 1.004 . . . . 0.0 114.71 -167.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.24 -40.31 21.79 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.142 -1.023 . . . . 0.0 112.995 -170.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -80.55 -35.02 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.633 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -67.76 -29.28 68.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 t -81.53 -32.92 32.08 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.489 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.77 -45.55 93.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.31 -38.15 51.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.914 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.66 71.07 1.03 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.176 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mm -93.18 104.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.9 mtt -94.0 -21.03 19.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -152.19 113.74 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.138 -174.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -86.14 149.06 49.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.022 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.494 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 97.3 Cg_endo -82.02 154.83 78.66 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 123.194 -1.586 . . . . 0.0 112.443 5.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -142.21 119.24 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.004 -175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 23' ' ' ASP . 3.1 mm? -99.46 131.43 45.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.115 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -139.7 129.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.27 139.55 31.42 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.96 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.86 137.72 52.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.784 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -92.71 -75.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.853 -1.139 . . . . 0.0 109.59 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.92 58.6 0.7 Allowed Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.739 -1.22 . . . . 0.0 110.847 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.43 41.07 6.23 Favored Glycine 0 N--CA 1.462 0.372 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.773 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.97 126.68 0.65 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.88 125.99 9.11 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.31 1.34 . . . . 0.0 110.783 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.99 -65.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.819 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -147.13 154.23 40.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.717 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -125.98 121.45 33.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.024 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 139.19 44.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.514 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.69 173.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.388 -165.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.95 -166.59 31.26 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -90.28 121.85 32.66 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.85 -1.14 . . . . 0.0 108.899 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.38 126.87 25.06 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 172.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.03 171.9 0.21 Allowed 'Trans proline' 0 CA--C 1.513 -0.537 0 C-N-CA 121.809 1.673 . . . . 0.0 113.152 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -54.92 -40.47 69.89 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.869 -0.733 . . . . 0.0 112.213 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -76.16 -37.23 58.19 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.58 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.89 -43.66 87.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.086 0.946 . . . . 0.0 110.522 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.476 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 39.6 tp -65.72 -47.82 74.03 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.668 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -61.4 -38.44 87.09 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.463 -0.895 . . . . 0.0 112.014 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 91.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.696 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -69.45 -37.49 77.37 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.738 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.8 -36.32 62.48 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.816 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.85 65.89 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.45 -0.9 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.27 -38.16 63.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.738 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.4 m -78.41 -25.18 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 121.434 -0.791 . . . . 0.0 112.941 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 49' ' ' LYS . 74.4 mt -77.88 -24.76 48.35 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.989 -172.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.756 178.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 122.275 1.036 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -96.61 160.59 14.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.613 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -137.4 115.91 12.0 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.046 175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.46 175.91 5.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.811 1.291 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 t -157.82 152.98 25.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -33.35 -47.28 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -168.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.88 -47.61 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.255 -0.903 . . . . 0.0 112.465 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -71.02 -27.89 64.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.105 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -52.5 -50.87 61.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.202 0.525 . . . . 0.0 112.036 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -68.06 -39.7 82.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.003 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -63.96 -33.65 76.2 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.532 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.61 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.817 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.72 -26.2 21.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.535 -172.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -71.86 -18.47 62.06 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.862 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -90.62 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 C-N-CA 119.461 -1.352 . . . . 0.0 112.001 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.51 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.154 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.48 131.89 95.22 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.895 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.66 133.21 43.74 Favored 'Trans proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.929 1.753 . . . . 0.0 113.304 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.16 121.02 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -83.05 121.57 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.638 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -95.77 135.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.533 174.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' CB ' ' HZ1' ' A' ' 54' ' ' LYS . 1.7 m-20 -113.62 108.11 16.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -85.82 127.09 34.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -154.66 176.3 12.59 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.186 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.24 153.77 43.14 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.103 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.7 -24.21 59.9 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.832 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -89.9 -4.2 57.66 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.126 -0.63 . . . . 0.0 112.501 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.93 142.92 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.51 1.148 . . . . 0.0 112.16 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.52 -60.16 1.84 Allowed Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.709 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 41.9 Cg_endo -65.38 -16.33 53.85 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 119.932 1.866 . . . . 0.0 113.952 -177.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 4.7 m -74.13 -18.72 60.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.221 -0.924 . . . . 0.0 111.734 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HD3' HH11 ' A' ' 33' ' ' ARG . 38.7 mtp180 -60.51 -31.54 70.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.9 mtp -79.38 -30.16 42.39 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.695 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.3 mtp -74.38 -8.54 56.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.61 -0.836 . . . . 0.0 113.032 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -55.89 28.95 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.73 -21.2 21.96 Favored 'Trans proline' 0 C--N 1.328 -0.508 0 CA-C-N 121.619 1.614 . . . . 0.0 114.51 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.37 -33.87 11.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.709 -1.245 . . . . 0.0 111.151 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.61 -38.72 70.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.64 -38.63 91.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.474 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.78 -26.49 66.12 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.509 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.2 t80 -72.14 -41.99 66.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.622 0.725 . . . . 0.0 112.058 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.98 -26.65 66.03 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.801 -0.759 . . . . 0.0 111.584 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -84.29 -15.22 47.46 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.259 -0.977 . . . . 0.0 111.751 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.92 -56.77 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.581 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.99 -39.82 17.61 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.541 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.56 -98.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 167.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -88.55 20.05 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.086 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -110.45 -43.77 3.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.8 p -107.25 128.66 62.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.545 0.688 . . . . 0.0 109.269 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -92.75 100.93 13.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.2 92.59 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.13 178.61 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 0.0 110.381 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HZ1' ' CB ' ' A' ' 23' ' ' ASP . 66.0 mmtt -141.7 117.04 10.14 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.799 -170.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -117.38 120.48 38.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -83.03 118.42 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.606 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.44 -24.02 27.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.228 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -73.48 -38.57 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.758 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.57 -52.67 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.258 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.25 124.83 52.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.482 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -101.85 -21.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.328 -0.538 0 N-CA-C 114.539 0.938 . . . . 0.0 114.539 -167.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -83.26 -36.96 24.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.895 -1.122 . . . . 0.0 113.311 -168.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -73.95 -29.54 62.06 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.914 -173.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HA ' HG12 ' A' ' 69' ' ' ILE . 9.8 t -70.07 -33.54 72.05 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.344 -0.943 . . . . 0.0 111.978 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -82.06 -28.54 32.36 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.935 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.22 -46.21 71.18 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.506 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -83.88 -30.15 26.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.263 -0.975 . . . . 0.0 112.88 -174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.69 76.03 1.2 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -168.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 64' ' ' THR . 37.8 mm -69.22 120.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 71' ' ' SER . 94.5 mtp -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.049 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 70' ' ' MET . 37.1 t 174.5 128.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.41 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.0 pp -64.53 140.08 97.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 118.365 -1.334 . . . . 0.0 108.485 174.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 90.1 Cg_endo -79.27 131.53 23.02 Favored 'Cis proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.549 -1.438 . . . . 0.0 111.685 5.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -122.49 118.57 28.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.69 124.42 51.19 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.453 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.51 HD11 HE21 ' A' ' 86' ' ' GLN . 69.8 mt -138.2 128.45 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.014 -173.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tt -92.99 137.35 32.44 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.278 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -118.2 144.76 45.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.787 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -118.93 -63.44 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.604 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.36 52.63 0.8 Allowed Glycine 0 N--CA 1.463 0.452 0 C-N-CA 119.488 -1.339 . . . . 0.0 110.93 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.03 45.97 18.25 Favored Glycine 0 N--CA 1.462 0.374 0 C-N-CA 119.735 -1.221 . . . . 0.0 111.088 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -166.08 120.96 0.91 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 -173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.93 114.07 3.45 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.256 1.304 . . . . 0.0 110.337 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.5 t -68.04 -52.2 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.914 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.59 156.59 45.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.113 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.51 HE21 HD11 ' A' ' 76' ' ' ILE . 51.0 tt0 -138.35 112.65 8.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.112 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.732 HD11 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -140.41 155.55 46.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.005 0.907 . . . . 0.0 109.374 169.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.421 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -143.4 -175.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.443 -165.321 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.58 -171.32 55.15 Favored Glycine 0 N--CA 1.462 0.428 0 C-N-CA 119.945 -1.121 . . . . 0.0 111.284 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -80.35 127.46 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.216 -1.393 . . . . 0.0 108.48 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.732 HE22 HD11 ' A' ' 87' ' ' LEU . 10.1 pt20 -137.55 124.57 13.7 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 89.6 Cg_exo -55.9 173.97 0.35 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 121.429 1.419 . . . . 0.0 113.544 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.73 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.337 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.69 -33.9 77.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.366 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -70.11 -38.66 75.68 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.867 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.54 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.3 mt -67.27 -46.22 74.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.09 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.005 -171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.31 74.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.982 0.896 . . . . 0.0 110.951 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG2' HD21 ' A' ' 87' ' ' LEU . 6.8 tp-100 -59.87 -51.28 70.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 78.3 mt -82.0 -27.71 32.99 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.848 -167.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -28.03 69.74 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.921 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -75.5 -36.68 60.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.985 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 100' ' ' LEU . 11.2 m -76.96 -25.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.531 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.92 -26.49 60.54 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.026 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 171.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 122.391 1.091 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.5 tpt -97.32 166.35 11.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.322 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.3 m -132.74 118.09 18.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.963 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.35 169.76 8.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.77 1.271 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -159.54 154.47 24.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.82 -43.17 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -169.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.65 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.377 -0.827 . . . . 0.0 112.197 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -74.11 -28.81 61.53 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.356 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -49.58 -50.04 44.05 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.35 -42.31 83.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.376 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.1 -32.12 73.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.425 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.7 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.511 0.672 . . . . 0.0 111.667 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 pt -82.13 -19.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.168 -0.613 . . . . 0.0 112.238 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -74.88 -15.6 60.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.52 -86.37 0.03 OUTLIER Glycine 0 N--CA 1.463 0.437 0 C-N-CA 119.653 -1.261 . . . . 0.0 112.254 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -169.52 -50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.637 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.616 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 4.9 ttmp? -79.62 141.84 56.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.193 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -38.54 124.78 0.87 Allowed 'Trans proline' 0 C--N 1.326 -0.606 0 C-N-CA 122.529 2.152 . . . . 0.0 115.583 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.41 124.45 67.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 100' ' ' LEU . 45.9 tp -84.63 135.49 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.549 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.27 130.21 67.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' CB ' ' HZ2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -104.74 111.42 24.13 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -87.93 118.42 27.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -149.55 174.46 12.5 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.071 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.4 151.21 43.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.896 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.5 67.95 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.497 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.8 p-90 -82.46 8.89 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.742 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.7 t -78.07 144.92 36.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.554 1.168 . . . . 0.0 112.646 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.1 -56.49 2.05 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.911 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 80.2 Cg_endo -78.04 -7.07 16.21 Favored 'Trans proline' 0 C--N 1.327 -0.567 0 CA-C-N 119.933 1.867 . . . . 0.0 113.911 -173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.66 -14.47 60.36 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.368 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 33' ' ' ARG . 75.4 mtt-85 -63.22 -29.78 71.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.836 -0.54 . . . . 0.0 111.75 174.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.7 mtt -63.54 -46.61 85.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.246 -0.582 . . . . 0.0 111.155 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.533 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 5.2 ptp -85.35 -3.96 59.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.87 -51.3 47.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.488 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 61.3 Cg_endo -73.16 -25.95 15.37 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 CA-C-N 120.876 1.349 . . . . 0.0 114.134 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.07 -39.25 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 120.179 -1.576 . . . . 0.0 110.778 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 ' SD ' ' A' ' 35' ' ' MET . 73.3 mt -71.27 -35.68 71.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.11 -34.81 73.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.826 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.02 -29.68 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.722 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.3 t80 -74.47 -40.05 62.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.438 0.637 . . . . 0.0 112.543 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.21 -32.56 72.86 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.522 -0.871 . . . . 0.0 111.183 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -94.53 6.51 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.531 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 -54.35 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.991 0.9 . . . . 0.0 109.217 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 72.7 m-70 -92.83 -52.46 4.6 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 70.93 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.391 171.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -84.95 44.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.201 1.0 . . . . 0.0 109.965 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -152.22 -51.65 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.4 m -92.6 152.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.408 1.099 . . . . 0.0 111.282 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -112.98 91.5 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 161.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.67 93.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.06 178.53 4.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.926 0.87 . . . . 0.0 110.897 -170.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HZ2' ' CB ' ' A' ' 23' ' ' ASP . 67.8 mmtt -137.29 105.93 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.594 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -108.96 115.56 30.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -81.69 127.75 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.873 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.42 -17.82 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.981 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.4 -39.57 53.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.999 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -86.73 -53.28 5.03 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.658 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -92.28 127.48 48.78 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.301 -170.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -98.6 -27.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.079 1.186 . . . . 0.0 114.026 -168.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.73 -44.58 20.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.632 -168.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 t -77.97 -31.97 51.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.075 -1.05 . . . . 0.0 111.453 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -68.08 -37.82 81.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.867 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 t -81.5 -31.16 32.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.718 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.61 -41.32 97.29 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.776 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.44 -30.46 25.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.587 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 68.71 1.17 Allowed Glycine 0 N--CA 1.459 0.221 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.287 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.7 mm -100.37 93.03 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.165 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 62.2 mtt -123.69 39.27 4.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.508 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -161.65 70.75 0.35 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.776 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.742 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pp -74.38 144.25 80.91 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.595 176.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.533 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 95.2 Cg_endo -83.88 141.14 37.72 Favored 'Cis proline' 0 C--N 1.322 -0.82 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.342 7.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 m -123.89 117.04 23.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.838 0.828 . . . . 0.0 109.377 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -99.74 124.96 45.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.93 124.97 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -94.34 134.85 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.232 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 78.2 m-85 -110.48 158.11 18.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.575 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -138.08 -66.02 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.13 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.08 63.52 0.44 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.65 -1.262 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 37.44 93.82 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 119.638 -1.267 . . . . 0.0 111.664 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.466 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -164.14 123.02 1.26 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -171.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 59.2 Cg_endo -70.7 119.92 6.69 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.42 1.413 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.1 -46.67 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.011 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.36 149.29 37.52 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.601 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -135.96 122.35 20.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.644 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' HG ' ' NE2' ' A' ' 91' ' ' GLN . 1.8 pt? -134.88 150.4 50.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.52 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.63 164.82 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.975 0.893 . . . . 0.0 110.998 -165.381 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.91 -179.15 50.18 Favored Glycine 0 N--CA 1.461 0.36 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.38 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.56 139.52 58.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.306 1.05 . . . . 0.0 109.936 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HG2' ' CE ' ' A' ' 35' ' ' MET . 8.9 pt20 -145.27 116.34 5.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.25 169.09 1.67 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.359 1.373 . . . . 0.0 113.957 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -54.63 -39.52 68.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.094 176.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.83 -28.58 69.09 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.146 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -71.74 -42.58 67.1 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.26 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -56.62 -50.51 71.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 119.696 -0.801 . . . . 0.0 110.996 174.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.77 -43.76 79.05 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.497 -0.881 . . . . 0.0 112.244 -169.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.24 82.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.002 0.906 . . . . 0.0 111.087 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -61.58 -46.37 90.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.382 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 21' ' ' LEU . 3.1 mm? -79.26 -39.41 33.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.585 -0.846 . . . . 0.0 113.203 -173.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.75 69.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.857 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.98 -46.12 92.02 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.803 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.7 -26.0 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 63.5 mt -73.81 -16.06 61.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.15 -177.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 121.937 0.875 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ttt -107.72 162.67 13.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.2 m -131.76 117.87 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.095 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.25 169.35 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.909 1.338 . . . . 0.0 110.851 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -149.56 160.88 43.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.765 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -33.65 -48.83 0.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.19 -52.51 6.2 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.078 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -67.43 -29.02 68.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.374 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.59 -51.08 51.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.992 0.425 . . . . 0.0 112.13 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 68.1 mt-30 -61.32 -49.99 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.629 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.33 -37.92 85.03 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.538 -0.865 . . . . 0.0 112.038 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.23 74.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.311 0.576 . . . . 0.0 112.436 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 pt -75.39 -34.03 29.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.611 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 91.5 mm-40 -68.38 -12.41 61.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.4 -88.52 0.03 OUTLIER Glycine 0 CA--C 1.52 0.399 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.034 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -165.98 -53.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.757 -1.177 . . . . 0.0 112.985 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -75.86 168.04 31.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.524 -167.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -60.76 134.47 54.1 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 121.823 1.682 . . . . 0.0 112.997 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -141.02 113.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -81.74 105.13 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.082 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.86 122.09 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 54' ' ' LYS . 1.2 m-20 -99.91 109.29 21.67 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -84.76 126.67 33.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -162.78 176.19 10.52 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.444 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.6 151.53 49.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 169.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.56 -25.35 64.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.287 -0.965 . . . . 0.0 112.231 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -87.79 -5.18 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.527 -0.733 . . . . 0.0 112.918 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.3 t -54.71 140.24 36.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.456 1.122 . . . . 0.0 112.962 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.5 -61.91 2.02 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.988 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.35 -16.28 35.06 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 CA-C-N 119.988 1.894 . . . . 0.0 113.469 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 5.9 m -69.11 -19.71 64.05 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.394 -0.922 . . . . 0.0 111.128 173.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.85 -34.72 76.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.225 0.536 . . . . 0.0 111.681 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.6 mtp -63.42 -53.16 56.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.125 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ptm -84.65 2.62 40.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.39 -53.19 47.72 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 121.111 -0.993 . . . . 0.0 112.415 174.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 84.4 Cg_endo -73.85 -17.02 23.04 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.102 1.429 . . . . 0.0 114.174 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 m -78.27 -36.31 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 120.587 -1.321 . . . . 0.0 110.226 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -39.03 84.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.793 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.4 -45.82 85.98 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.787 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.77 -29.53 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.399 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.8 t80 -66.99 -46.15 75.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.536 0.684 . . . . 0.0 112.176 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.35 71.34 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.872 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.05 -17.57 46.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.801 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.29 -57.35 4.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.644 0.735 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -83.98 -49.6 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 71.38 -83.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 167.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -83.3 34.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.781 0.801 . . . . 0.0 111.465 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' ALA . 17.0 tppt? -143.49 -48.26 0.3 Allowed 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.825 -172.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -102.83 135.73 38.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.778 0.799 . . . . 0.0 110.47 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -102.69 103.06 13.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.79 89.86 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.01 174.29 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.021 0.915 . . . . 0.0 110.998 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 23' ' ' ASP . 70.6 mmtt -140.24 107.01 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.491 -0.884 . . . . 0.0 109.892 -170.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.31 124.92 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -81.13 123.75 28.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.742 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 p -72.95 -19.29 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.207 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -79.52 -45.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.348 -0.845 . . . . 0.0 110.9 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.69 -48.78 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.739 -174.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -96.35 120.9 61.6 Favored Pre-proline 0 C--N 1.324 -0.541 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.956 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -102.32 -14.54 0.12 Allowed 'Trans proline' 0 C--N 1.329 -0.488 0 C-N-CA 120.684 0.923 . . . . 0.0 114.286 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -81.05 -33.65 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.131 -1.028 . . . . 0.0 112.78 -170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.6 t -82.31 -33.34 29.06 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.627 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -66.75 -26.37 66.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.712 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -78.74 -31.57 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.372 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -65.94 -40.86 91.74 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.864 -0.735 . . . . 0.0 111.832 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -94.25 -38.06 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.67 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.22 77.52 1.37 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 -173.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -96.04 111.4 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 75.4 mtm -92.85 -23.51 18.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.122 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 t -155.02 137.75 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.665 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 pp -95.49 151.81 38.83 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.639 169.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 71.6 Cg_endo -83.89 146.62 52.55 Favored 'Cis proline' 0 C--N 1.324 -0.736 0 C-N-CA 122.936 -1.693 . . . . 0.0 111.721 4.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 mt -105.67 133.24 50.74 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.771 -1.171 . . . . 0.0 109.684 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.1 mt -138.86 131.0 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -98.82 130.15 45.24 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.208 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -117.09 144.08 45.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -101.56 -84.0 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.143 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.89 49.31 0.86 Allowed Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.462 -1.351 . . . . 0.0 112.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.04 33.49 7.73 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.416 -1.373 . . . . 0.0 112.981 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HD3' HH11 ' A' ' 82' ' ' ARG . 0.0 OUTLIER -155.49 126.76 3.63 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.76 116.32 4.68 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.212 1.275 . . . . 0.0 110.313 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.83 -58.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.537 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -146.84 153.88 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.426 1.108 . . . . 0.0 110.049 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -127.68 131.54 49.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.215 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.27 148.76 43.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.27 160.86 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.857 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.79 -157.81 30.14 Favored Glycine 0 N--CA 1.46 0.273 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.543 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -90.74 125.44 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.746 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.94 118.49 19.58 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -46.82 163.19 0.13 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 122.431 2.088 . . . . 0.0 115.674 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -51.8 -43.59 63.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.027 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.56 -30.77 71.55 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.145 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -74.2 -33.44 63.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.084 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -60.18 -47.58 85.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.039 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.29 -41.29 89.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.818 -170.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.17 -53.24 40.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.177 0.989 . . . . 0.0 110.599 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -50.27 -44.74 53.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.531 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 83.6 mt -88.08 -21.97 24.42 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -169.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.25 77.61 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 120.722 -1.236 . . . . 0.0 112.089 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -42.0 86.78 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.456 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 100' ' ' LEU . 34.2 m -80.89 -29.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.408 HD21 ' HG3' ' A' ' 49' ' ' LYS . 65.3 mt -74.73 -39.65 61.74 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.686 -0.806 . . . . 0.0 112.61 -172.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.716 -176.224 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 122.304 1.049 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -77.99 161.12 27.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.811 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.2 m -135.39 119.9 18.08 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.333 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.76 170.42 7.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.859 1.314 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.31 158.39 42.69 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.3 p-10 -31.54 -49.91 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -170.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.48 -54.26 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.215 -0.928 . . . . 0.0 112.314 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.98 -27.02 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.452 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -51.59 -48.7 63.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 23.4 mm100 -63.84 -54.59 32.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.107 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -54.73 -34.21 62.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.493 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.73 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.189 -0.605 . . . . 0.0 112.401 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.0 -24.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.929 -0.708 . . . . 0.0 112.702 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 68.4 mt-30 -72.42 -10.21 59.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -84.31 0.02 OUTLIER Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.961 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -157.03 -71.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.991 -1.083 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.694 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -95.42 -178.24 0.76 Allowed Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.886 -169.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 36.3 Cg_exo -56.94 140.26 91.7 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 121.72 1.613 . . . . 0.0 114.912 -171.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.06 119.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.6 134.91 33.91 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.692 -1.203 . . . . 0.0 110.173 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.1 t -107.88 131.87 57.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m-20 -101.24 109.62 21.51 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -87.66 119.15 27.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -145.77 173.83 11.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 109.049 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.02 153.5 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.154 172.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.76 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.726 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 36.7 p-90 -84.82 -9.87 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.763 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.13 139.5 58.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.362 1.077 . . . . 0.0 111.75 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.59 -60.97 2.24 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.07 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.97 -8.98 23.09 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 CA-C-N 119.625 1.712 . . . . 0.0 113.909 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -73.93 -15.97 61.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.725 176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.03 -37.61 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.728 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.2 mtt -66.42 -32.41 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.419 -0.912 . . . . 0.0 111.647 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.482 ' HA ' HG23 ' A' ' 38' ' ' VAL . 43.5 mtp -75.66 -13.98 60.34 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.041 -1.063 . . . . 0.0 113.124 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.16 -54.01 46.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 70.7 Cg_endo -72.92 -37.5 3.59 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 121.478 1.564 . . . . 0.0 113.48 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 35' ' ' MET . 34.1 m -67.81 -33.05 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.505 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.95 -34.05 64.13 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.713 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.16 -38.27 85.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.155 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.15 -26.38 64.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.686 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.1 t80 -72.18 -43.5 64.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.713 0.768 . . . . 0.0 111.313 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.09 66.52 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.456 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.12 -23.94 28.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.537 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -58.25 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 84.3 m-70 -84.93 -53.61 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.986 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 66.16 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 170.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.6 38.76 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.9 0.857 . . . . 0.0 110.893 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 17.9 tppt? -149.96 -47.81 0.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.376 0.608 . . . . 0.0 109.415 -172.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 46' ' ' HIS . 9.6 p -105.73 143.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 110.444 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -102.51 107.97 19.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.77 95.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 179.26 4.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -171.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 23' ' ' ASP . 71.5 mmtt -138.82 111.46 7.65 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.94 -172.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.96 121.5 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -82.9 124.4 30.31 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.702 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.5 m -68.07 -22.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.378 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 15.8 t70 -83.21 -46.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.825 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.36 -38.96 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.52 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -116.46 103.13 53.12 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -95.66 -7.92 1.39 Allowed 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.163 1.242 . . . . 0.0 113.527 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.13 -37.66 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.741 -171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -77.47 -36.71 52.57 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.229 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -67.11 -27.91 67.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.89 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -79.85 -31.19 40.49 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.4 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.39 -53.32 44.99 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.171 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.32 -32.34 64.53 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.643 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.26 71.58 1.24 Allowed Glycine 0 N--CA 1.459 0.204 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.489 HG23 ' HG1' ' A' ' 74' ' ' THR . 41.3 mm -82.67 115.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.8 mtt -79.06 -40.32 31.57 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.569 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.0 t -159.51 118.48 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.703 -1.199 . . . . 0.0 110.974 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.68 149.44 90.6 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.626 172.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.49 144.23 76.7 Favored 'Cis proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.325 -1.531 . . . . 0.0 111.283 2.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.489 ' HG1' HG23 ' A' ' 69' ' ' ILE . 14.8 m -128.58 121.87 29.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.843 0.83 . . . . 0.0 109.0 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -105.5 115.98 31.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.93 125.32 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.056 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.4 123.65 36.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.61 142.47 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.3 -68.47 0.85 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.945 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 55.45 0.69 Allowed Glycine 0 N--CA 1.461 0.366 0 C-N-CA 119.69 -1.243 . . . . 0.0 110.507 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.19 38.12 47.45 Favored Glycine 0 N--CA 1.462 0.406 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.826 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 124.59 2.57 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 -174.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.26 120.3 6.9 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.544 1.496 . . . . 0.0 111.067 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.66 -51.66 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.785 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -140.97 155.51 46.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.234 1.016 . . . . 0.0 109.418 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -136.9 113.95 10.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.629 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD23 HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -132.79 130.52 39.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.559 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -127.87 -177.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.312 1.053 . . . . 0.0 111.845 -165.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -172.09 40.98 Favored Glycine 0 N--CA 1.46 0.293 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -82.95 121.93 27.63 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.462 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.533 HE21 HD23 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -125.58 116.86 24.81 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.063 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -54.77 170.04 0.7 Allowed 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 122.023 1.816 . . . . 0.0 113.768 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 36.2 ttpt -58.82 -31.66 68.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.188 172.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.93 -40.44 79.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.327 -0.858 . . . . 0.0 111.738 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -70.68 -40.89 72.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.828 0.823 . . . . 0.0 110.788 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.9 mt -60.82 -43.52 98.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.56 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 46' ' ' HIS . 42.2 mt-10 -67.31 -38.9 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.115 -1.034 . . . . 0.0 112.121 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.47 68.99 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.615 -0.834 . . . . 0.0 111.255 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.69 -40.88 84.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.434 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 82.6 mt -89.43 -25.32 21.58 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -168.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.21 73.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.843 -1.161 . . . . 0.0 111.563 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -40.17 86.05 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.105 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.4 m -85.33 -26.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.23 -30.69 65.14 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.907 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.157 179.234 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 122.042 0.925 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.86 161.07 16.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.069 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -133.28 117.8 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.598 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.2 169.83 8.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.877 1.323 . . . . 0.0 111.074 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.8 t -147.75 156.77 43.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.696 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.431 ' H ' ' CG ' ' A' ' 60' ' ' ASN . 9.4 p-10 -31.67 -49.75 0.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.46 -46.72 9.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.313 -0.867 . . . . 0.0 112.827 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.37 -30.83 71.69 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.937 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -50.06 -48.54 52.93 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.192 0.52 . . . . 0.0 112.341 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.16 -36.63 83.6 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.732 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -78.69 -29.06 45.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.955 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.5 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.418 0.628 . . . . 0.0 112.219 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.28 -22.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.079 -0.649 . . . . 0.0 112.42 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -79.45 -25.09 42.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.435 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.55 -82.04 0.43 Allowed Glycine 0 N--CA 1.46 0.264 0 C-N-CA 119.754 -1.212 . . . . 0.0 113.934 -170.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.26 -164.99 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.371 1.081 . . . . 0.0 112.591 -167.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.47 -175.75 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.109 -177.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' LYS . 6.0 Cg_exo -39.84 123.17 1.17 Allowed 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 122.102 1.868 . . . . 0.0 115.87 -176.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.55 117.03 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -87.74 109.61 19.84 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.168 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 131.8 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.009 -1.076 . . . . 0.0 108.919 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' HB2' ' HG2' ' A' ' 54' ' ' LYS . 3.5 m-20 -111.09 113.19 25.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.41 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 79.2 m-85 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -149.88 177.71 9.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.29 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.52 45.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.191 -1.003 . . . . 0.0 109.021 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.03 63.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.746 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.464 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 42.6 p-90 -81.34 -8.64 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.527 -0.869 . . . . 0.0 112.408 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.537 ' SG ' HD12 ' A' ' 72' ' ' ILE . 11.5 t -67.46 141.84 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.217 1.008 . . . . 0.0 111.753 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.85 -58.95 1.55 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.033 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 72.1 Cg_endo -74.82 -4.13 14.94 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 CA-C-N 119.889 1.844 . . . . 0.0 113.752 -174.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -26.82 62.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.979 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.1 -20.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.119 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.85 -51.09 71.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.828 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' HD21 ' A' ' 75' ' ' LEU . 7.5 ptm -87.93 1.72 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.44 -0.904 . . . . 0.0 113.248 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.02 -53.51 51.02 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 174.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 95.6 Cg_endo -74.42 -25.74 12.84 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 121.535 1.584 . . . . 0.0 113.151 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 93' ' ' LYS . 2.8 p -75.3 -30.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.499 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.81 -30.38 66.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.48 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.76 -32.89 71.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.957 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' CD ' ' HZ1' ' A' ' 93' ' ' LYS . 51.0 mt-10 -67.68 -30.07 69.51 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.591 169.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.487 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 8.2 t80 -70.49 -43.3 70.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.609 0.719 . . . . 0.0 111.834 -176.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -19.49 64.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.732 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -30.86 55.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.393 174.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.13 -52.32 7.92 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.002 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' HB2' HG21 ' A' ' 50' ' ' VAL . 97.5 m-70 -82.79 -52.46 6.73 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.543 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 -85.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -84.77 24.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.729 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HG3' HD21 ' A' ' 104' ' ' LEU . 14.1 tppt? -133.07 -38.31 0.97 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.237 -171.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 46' ' ' HIS . 9.9 m -103.3 146.95 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.359 1.076 . . . . 0.0 110.558 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.9 m -108.55 93.75 4.69 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 163.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.18 90.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.09 171.8 7.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.231 -170.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 90.8 mttt -146.72 115.35 6.78 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.065 -1.054 . . . . 0.0 110.642 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.66 128.13 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.43 115.69 21.56 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.906 -1.117 . . . . 0.0 108.554 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.84 -23.7 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.574 -0.851 . . . . 0.0 112.01 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 31.1 t70 -75.14 -48.31 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.854 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -68.69 -42.39 77.87 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 65.2 m-80 -112.56 105.16 56.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.945 -172.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.2 -16.32 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.03 1.154 . . . . 0.0 113.558 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.59 -28.75 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.046 -1.062 . . . . 0.0 111.928 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -72.62 -44.76 61.52 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.175 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -64.89 -29.64 70.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.427 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -83.11 -27.97 29.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.684 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.32 -48.63 79.0 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.951 -0.699 . . . . 0.0 110.999 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.11 -36.85 24.5 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.885 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 81.94 1.56 Allowed Glycine 0 N--CA 1.459 0.191 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -92.49 96.41 6.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.2 mtt -83.21 -25.02 32.12 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.396 -0.922 . . . . 0.0 112.312 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -149.15 112.25 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.069 -176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.537 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -81.26 147.97 62.04 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.307 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -86.5 132.71 14.56 Favored 'Cis proline' 0 C--N 1.325 -0.71 0 C-N-CA 123.213 -1.578 . . . . 0.0 110.804 2.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 3.6 m -103.05 126.44 50.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.634 0.731 . . . . 0.0 109.14 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD21 ' SD ' ' A' ' 35' ' ' MET . 3.3 mm? -105.6 125.78 51.38 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.28 130.09 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.03 123.04 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.265 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -108.49 137.96 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -106.18 -71.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.141 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 56.53 0.56 Allowed Glycine 0 N--CA 1.462 0.403 0 C-N-CA 119.568 -1.301 . . . . 0.0 110.657 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 43.36 23.2 Favored Glycine 0 N--CA 1.462 0.384 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.509 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -169.52 124.1 0.7 Allowed Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -173.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.78 121.69 7.21 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 121.27 1.314 . . . . 0.0 110.167 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 m -77.69 -46.18 27.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.118 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.727 ' HD2' HE22 ' A' ' 99' ' ' GLN . 97.5 mttt -144.58 165.39 28.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.397 1.094 . . . . 0.0 110.021 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -140.32 111.65 7.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.515 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.596 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -124.16 154.93 39.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.019 0.914 . . . . 0.0 108.552 170.261 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.587 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.85 165.96 30.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.138 0.97 . . . . 0.0 111.268 -166.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.29 177.53 51.87 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 119.997 -1.097 . . . . 0.0 111.893 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.28 129.33 39.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.459 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.596 HE22 HD13 ' A' ' 87' ' ' LEU . 6.3 pt20 -136.42 127.8 16.88 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 96.5 Cg_exo -56.44 166.36 3.57 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 121.591 1.527 . . . . 0.0 113.418 -177.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HZ1' ' CD ' ' A' ' 41' ' ' GLU . 31.7 ttpt -57.95 -33.04 68.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.936 175.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.39 -36.55 84.31 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.828 -0.749 . . . . 0.0 112.002 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -70.95 -40.86 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.2 mt -64.33 -43.49 94.48 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.833 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.47 -41.29 72.95 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.64 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.3 85.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.111 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.727 HE22 ' HD2' ' A' ' 85' ' ' LYS . 30.6 tp60 -58.46 -53.14 61.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.461 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.487 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 70.0 mt -81.17 -27.79 35.27 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.573 -168.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.72 72.2 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 120.827 -1.171 . . . . 0.0 111.885 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.03 -43.96 97.73 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.817 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.22 -23.42 7.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 ' HG3' ' A' ' 49' ' ' LYS . 67.2 mt -78.78 -26.89 44.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -170.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 119.184 -1.006 . . . . 0.0 111.409 -174.013 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 122.327 1.061 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -90.98 161.95 14.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.216 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -131.33 117.86 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.593 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.76 174.56 5.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.783 1.278 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.8 t -159.62 166.39 30.78 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.5 p-10 -36.92 -48.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -170.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.2 -49.23 9.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.491 -0.756 . . . . 0.0 112.521 -175.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.4 -30.85 68.91 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.272 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.22 -47.96 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt-30 -61.94 -46.53 88.92 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.177 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.6 -29.24 65.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.426 -0.909 . . . . 0.0 112.34 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.75 90.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.419 0.628 . . . . 0.0 112.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 pt -78.63 -21.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 63.8 mt-30 -75.92 -11.28 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.22 -86.62 0.03 OUTLIER Glycine 0 N--CA 1.464 0.507 0 C-N-CA 119.601 -1.285 . . . . 0.0 112.938 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -165.03 -63.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.209 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -66.22 160.38 65.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.671 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.63 131.53 46.23 Favored 'Trans proline' 0 C--N 1.325 -0.66 0 C-N-CA 121.635 1.556 . . . . 0.0 112.734 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.0 t -124.67 111.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.31 108.13 17.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.929 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -82.38 138.72 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.65 175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -111.56 107.16 16.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -83.87 122.71 29.07 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -151.57 176.06 11.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.875 -170.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.58 157.47 46.09 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.012 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.53 -29.53 63.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.539 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.1 p-90 -81.58 -3.62 53.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.503 173.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.75 140.87 55.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.318 1.056 . . . . 0.0 111.682 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.19 -60.58 1.82 Allowed Glycine 0 CA--C 1.521 0.42 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.677 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.41 -11.35 24.58 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 CA-C-N 119.698 1.749 . . . . 0.0 113.88 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.6 m -70.75 -27.25 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.074 -1.05 . . . . 0.0 110.786 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.25 -23.83 63.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.157 -0.617 . . . . 0.0 112.466 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.57 -45.1 95.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.847 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -80.89 -1.8 44.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -59.02 7.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 120.995 -1.066 . . . . 0.0 112.966 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.55 -20.75 26.66 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-N 121.489 1.567 . . . . 0.0 113.045 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.22 -46.61 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.145 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.35 -37.57 87.96 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.235 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.49 -42.05 98.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.149 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.93 -28.74 64.72 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.48 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.4 t80 -71.42 -43.56 66.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 111.546 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.2 66.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.007 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.17 -15.74 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.425 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.53 -57.02 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.43 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 81.1 m-70 -81.92 -51.03 8.49 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.232 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 71.54 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 168.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.95 30.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.209 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 47' ' ' ALA . 42.7 tptt -137.57 -44.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 -172.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 m -105.91 145.85 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 122.381 1.086 . . . . 0.0 111.225 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -113.06 91.8 3.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 162.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.25 97.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.03 -177.6 3.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.998 0.904 . . . . 0.0 111.53 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -138.47 119.97 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.23 -173.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.89 124.53 43.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 173.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.78 121.51 27.0 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.287 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.85 -23.4 29.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.139 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.99 -47.15 13.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.804 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.49 -41.39 60.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.988 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -104.21 115.2 63.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.958 -170.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -98.73 -16.37 0.2 Allowed 'Trans proline' 0 C--N 1.327 -0.59 0 C-N-CA 120.953 1.102 . . . . 0.0 113.832 -169.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.56 -38.43 21.69 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.847 -169.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 t -83.56 -29.97 27.4 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 118.921 -1.112 . . . . 0.0 111.973 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.7 -33.97 74.86 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.584 -0.847 . . . . 0.0 111.624 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -80.28 -30.23 38.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.36 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -65.46 -49.98 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.646 -0.821 . . . . 0.0 110.944 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.36 -36.22 46.39 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.419 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.18 76.45 1.31 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.0 mm -85.15 109.87 18.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.2 mtp -82.77 -34.48 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.232 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -159.18 116.58 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.802 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.9 pt -79.53 147.87 68.68 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.435 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.66 127.42 13.53 Favored 'Cis proline' 0 C--N 1.326 -0.634 0 C-N-CA 123.123 -1.615 . . . . 0.0 111.464 6.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 m -107.72 115.85 30.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.07 127.17 52.76 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.102 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.33 129.67 67.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -175.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.24 124.45 40.25 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.663 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -112.11 150.27 30.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -103.84 -85.54 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.186 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 51.41 0.7 Allowed Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.11 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.87 36.42 6.77 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.777 -1.202 . . . . 0.0 111.95 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -157.11 126.41 3.13 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.06 119.53 5.88 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.417 1.411 . . . . 0.0 110.604 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.4 t -67.74 -60.5 2.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.34 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -149.84 156.68 42.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.198 0.999 . . . . 0.0 109.78 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -119.11 116.43 26.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.617 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 pp -120.87 149.54 42.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.489 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -138.86 171.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 122.117 0.961 . . . . 0.0 111.138 -165.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.56 173.21 49.57 Favored Glycine 0 N--CA 1.46 0.242 0 C-N-CA 119.797 -1.192 . . . . 0.0 110.635 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -79.56 119.88 23.14 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.384 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -117.82 133.13 23.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 92.4 Cg_exo -55.92 168.76 1.64 Allowed 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 121.695 1.597 . . . . 0.0 114.024 -176.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -66.2 -38.69 88.6 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.559 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -70.62 -34.86 72.56 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.745 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.48 -45.67 86.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.442 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 18.0 mt -57.73 -48.16 80.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.16 -41.35 98.22 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.179 -172.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.98 78.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.989 0.9 . . . . 0.0 111.122 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.101 -175.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.043 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -27.77 62.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.942 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.99 -43.22 88.43 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.671 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.17 -26.82 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.901 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.04 -30.29 49.77 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.106 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.407 -178.56 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 122.057 0.932 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.74 163.93 19.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.5 m -128.33 115.0 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.383 174.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 10' ' ' PHE . 4.8 mp -96.93 169.81 9.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.629 1.204 . . . . 0.0 110.214 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -157.46 177.47 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.121 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -43.0 -54.23 4.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.32 -32.69 16.4 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.659 -0.816 . . . . 0.0 112.558 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.96 -28.4 61.47 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.121 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CD2' HD21 ' A' ' 5' ' ' LEU . 63.7 t80 -62.35 -45.26 93.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.221 0.534 . . . . 0.0 111.959 176.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.66 -41.32 98.21 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.072 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.81 -31.3 72.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.718 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.33 29.55 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.219 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 pt -79.5 -26.36 12.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 119.361 -0.935 . . . . 0.0 112.759 -172.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.11 -12.59 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.699 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.93 -89.16 0.09 OUTLIER Glycine 0 CA--C 1.519 0.303 0 C-N-CA 119.677 -1.249 . . . . 0.0 112.509 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -169.08 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.575 -173.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -67.0 140.92 96.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.063 -174.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -42.54 129.15 4.95 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.867 1.711 . . . . 0.0 113.634 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.83 112.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.0 106.88 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.288 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.17 120.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.179 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.18 110.4 22.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.439 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 94.5 m-85 -85.59 125.87 33.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -148.33 178.18 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.514 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.98 158.19 44.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.186 -1.006 . . . . 0.0 109.791 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.66 -26.7 60.87 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.63 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -84.72 -4.93 59.27 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.209 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 72' ' ' ILE . 11.6 t -66.43 150.64 48.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 112.391 -173.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -96.32 -59.95 1.02 Allowed Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.791 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 68.6 Cg_endo -73.84 -5.72 17.48 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 119.727 1.763 . . . . 0.0 113.589 -175.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -69.41 -28.09 65.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.075 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -67.01 -27.52 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.808 173.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.38 -38.36 71.52 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.472 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.574 ' HE2' ' H ' ' A' ' 91' ' ' GLN . 34.7 mtp -77.8 -11.67 59.91 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.336 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.59 78.15 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.67 -11.9 11.36 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-N 121.836 1.691 . . . . 0.0 113.978 -174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -87.73 -36.38 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.82 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.72 -39.05 84.32 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.61 -36.43 84.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.406 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.57 -30.46 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.014 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 11.7 t80 -65.79 -45.84 80.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.733 0.777 . . . . 0.0 111.354 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.9 -23.78 65.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.839 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.2 -35.34 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.385 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -50.86 19.62 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.531 -175.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.402 ' HB2' HG11 ' A' ' 50' ' ' VAL . 95.5 m-70 -85.05 -52.77 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.525 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.1 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 169.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -83.25 15.05 3.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.331 -176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -122.36 -30.66 3.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.182 0.515 . . . . 0.0 110.062 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.407 HG12 HG23 ' A' ' 52' ' ' VAL . 13.4 p -122.91 125.76 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.537 0.684 . . . . 0.0 109.413 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.5 m -92.87 93.84 8.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 170.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 HG12 ' A' ' 50' ' ' VAL . 13.6 t -85.98 99.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.71 178.02 4.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.135 0.969 . . . . 0.0 111.896 -168.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -141.28 110.49 6.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.916 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 tt -117.9 132.1 56.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 171.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -82.54 124.05 29.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.496 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -61.54 -30.83 49.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.229 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.14 -43.8 13.53 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.23 -42.18 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.163 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -112.67 99.16 46.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -100.27 8.94 0.67 Allowed 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 120.894 1.062 . . . . 0.0 113.809 -166.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -82.52 -35.2 27.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.721 -172.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.3 t -82.33 -33.21 29.01 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.56 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.6 t -67.37 -26.34 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.765 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.9 p -74.18 -29.84 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.34 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -69.46 -49.47 54.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.13 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.99 -36.1 23.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.882 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.15 77.21 1.06 Allowed Glycine 0 N--CA 1.461 0.343 0 C-N-CA 119.714 -1.232 . . . . 0.0 110.065 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.67 111.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.5 mtm -95.54 -18.06 20.91 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.33 -172.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.3 t -150.04 99.55 2.83 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 118.642 -1.223 . . . . 0.0 111.209 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.41 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -80.92 149.15 66.42 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.484 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.95 146.55 51.94 Favored 'Cis proline' 0 C--N 1.327 -0.594 0 C-N-CA 122.964 -1.682 . . . . 0.0 111.286 2.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 5.9 m -125.13 123.85 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.89 0.852 . . . . 0.0 109.453 -174.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.77 121.16 41.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.9 124.65 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -100.97 131.57 46.79 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.894 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.439 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 93.7 m-85 -112.36 142.99 44.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.97 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -97.37 -76.18 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.743 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.29 61.17 0.51 Allowed Glycine 0 N--CA 1.463 0.464 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.048 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.8 43.02 36.69 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 119.735 -1.221 . . . . 0.0 110.951 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.461 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -151.89 111.39 2.9 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -176.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.8 Cg_endo -71.53 115.81 4.44 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.3 1.333 . . . . 0.0 110.112 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.05 -48.89 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.449 -0.9 . . . . 0.0 110.381 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HZ2' ' HB3' ' A' ' 102' ' ' ASP . 56.7 mtmt -146.24 147.91 31.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.58 1.181 . . . . 0.0 110.276 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -131.6 111.32 11.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.567 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.14 143.88 51.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.01 0.91 . . . . 0.0 108.805 174.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.21 165.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 122.109 0.957 . . . . 0.0 111.296 -167.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 169.97 33.91 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -77.09 111.03 12.25 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.214 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.574 ' H ' ' HE2' ' A' ' 35' ' ' MET . 6.4 pt20 -117.24 125.71 27.98 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -58.14 173.0 1.06 Allowed 'Trans proline' 0 C--N 1.326 -0.633 0 C-N-CA 121.412 1.408 . . . . 0.0 113.702 -174.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.53 -40.78 60.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.18 176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.98 -29.69 70.63 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.029 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 91' ' ' GLN . 72.8 mm-40 -74.45 -38.34 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.69 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.5 mm? -59.2 -46.34 88.69 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.073 172.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.34 -42.16 98.22 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.034 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.43 92.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.481 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.91 -51.51 64.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.438 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.93 -27.57 43.74 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.397 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.34 -31.42 67.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 118.856 -1.137 . . . . 0.0 111.731 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' HB3' ' HZ2' ' A' ' 85' ' ' LYS . 33.3 t0 -65.71 -43.56 88.75 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.865 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.82 -26.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.55 -10.64 59.73 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.346 -178.355 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.0 p . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 121.924 0.869 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 25.7 ttt -115.84 121.06 41.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.186 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -87.4 118.57 26.93 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.202 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.43 175.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.673 1.225 . . . . 0.0 109.99 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -157.79 168.84 26.05 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -37.9 -47.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.68 -47.17 10.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.613 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -71.47 -25.93 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.5 -49.67 71.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.208 0.528 . . . . 0.0 111.994 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.02 -37.29 86.6 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.404 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -75.17 -28.6 60.14 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.977 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.94 67.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.334 0.588 . . . . 0.0 112.178 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -79.48 -28.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.496 -171.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -75.45 -13.87 60.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.44 -85.79 0.03 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.01 -175.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.33 -54.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.05 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -76.02 159.85 79.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.199 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.39 136.3 74.86 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 121.749 1.633 . . . . 0.0 112.709 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.18 109.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.32 115.1 22.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.705 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 24' ' ' PHE . 84.5 t -87.08 123.33 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 119.207 -0.997 . . . . 0.0 108.45 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.412 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 3.1 m-20 -101.55 104.68 15.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CZ ' HG13 ' A' ' 22' ' ' VAL . 81.4 m-85 -83.55 124.97 31.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -149.38 175.13 11.72 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.066 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.34 152.97 44.86 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.292 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.83 -24.77 65.32 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.589 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.414 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 32.4 p-90 -88.59 -2.26 58.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.644 173.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 72' ' ' ILE . 9.9 t -68.22 146.5 53.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.367 1.08 . . . . 0.0 111.906 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.29 -58.42 1.22 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.69 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.1 Cg_endo -71.47 -9.33 25.0 Favored 'Trans proline' 0 C--N 1.329 -0.488 0 CA-C-N 120.044 1.922 . . . . 0.0 114.103 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 m -70.84 -22.87 62.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.742 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.35 -31.67 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.487 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.26 -53.0 62.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -85.38 4.64 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.18 80.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 121.132 -0.98 . . . . 0.0 113.091 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.83 -15.78 13.17 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-N 121.802 1.679 . . . . 0.0 113.976 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 93' ' ' LYS . 19.8 m -76.81 -33.21 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.442 -1.303 . . . . 0.0 110.31 174.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.89 -35.31 76.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.947 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.25 -41.32 97.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.967 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -69.4 -32.52 71.58 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.057 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 35.4 t80 -66.91 -43.13 84.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.678 0.751 . . . . 0.0 111.919 -177.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.76 -25.47 63.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.963 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -83.97 -15.65 47.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.727 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.45 -58.41 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.458 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 90.2 m-70 -83.68 -44.61 14.32 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.913 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.08 -95.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 170.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -80.22 -16.77 54.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.197 -1.001 . . . . 0.0 111.631 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.1 tppt? -72.98 -35.25 66.86 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.523 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.61 165.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.516 1.15 . . . . 0.0 111.062 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 m -126.18 90.47 3.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 162.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.28 93.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 3' ' ' MET . . . -101.17 174.4 6.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.37 1.081 . . . . 0.0 111.563 -168.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -138.94 112.02 7.96 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.502 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 tp -111.18 135.11 52.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 171.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -83.93 120.38 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 118.636 -1.226 . . . . 0.0 108.327 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.13 -20.94 23.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.146 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 14.8 t70 -81.69 -39.54 24.16 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.052 177.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -80.56 -42.89 21.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.85 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.07 113.31 64.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.287 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -105.76 7.81 0.22 Allowed 'Trans proline' 0 C--N 1.327 -0.603 0 C-N-CA 120.473 0.782 . . . . 0.0 114.089 -167.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -89.96 -43.37 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.994 -1.082 . . . . 0.0 112.614 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.5 t -82.02 -25.38 34.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 111.689 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -65.56 -23.56 66.89 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.741 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -79.44 -35.74 39.98 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.437 175.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -55.56 18.05 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.766 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -83.44 -32.14 26.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.36 -0.936 . . . . 0.0 112.045 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.3 67.66 1.4 Allowed Glycine 0 N--CA 1.46 0.247 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -91.1 100.01 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.2 mtt -135.94 32.43 2.95 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.533 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.6 t -146.33 58.41 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.313 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.6 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -71.66 147.51 92.12 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.453 -177.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.0 129.79 19.8 Favored 'Cis proline' 0 C--N 1.325 -0.676 0 C-N-CA 123.151 -1.604 . . . . 0.0 111.18 1.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.9 m -110.49 121.41 45.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 23' ' ' ASP . 17.3 mt -110.11 124.19 51.08 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.884 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mt -130.49 122.25 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 119.581 -0.848 . . . . 0.0 108.857 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.32 120.49 33.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 96.4 m-85 -108.38 141.43 40.22 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.144 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -98.52 -66.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.88 49.57 0.9 Allowed Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.548 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.55 -32.82 6.57 Favored Glycine 0 N--CA 1.462 0.398 0 C-N-CA 119.587 -1.292 . . . . 0.0 112.122 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.41 127.23 71.71 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 63.6 Cg_endo -75.79 120.99 6.03 Favored 'Trans proline' 0 C--N 1.325 -0.691 0 C-N-CA 121.552 1.501 . . . . 0.0 110.42 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.8 t -78.21 -50.09 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.903 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.89 134.03 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.19 106.21 12.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.736 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.5 pt? -127.76 150.06 49.97 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.12 155.75 24.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.669 -168.015 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.68 179.42 29.4 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -69.57 138.38 53.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.369 1.081 . . . . 0.0 109.683 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.736 HE22 ' HG ' ' A' ' 87' ' ' LEU . 6.5 pt20 -152.77 122.04 3.3 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -54.47 167.47 1.36 Allowed 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.617 1.544 . . . . 0.0 114.656 -173.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 1.1 tmmt? -61.72 -38.66 88.72 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.088 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.296 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -73.69 -37.68 65.12 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.881 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.86 -48.36 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.12 169.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' A' ' 46' ' ' HIS . 50.6 mt-10 -66.55 -30.36 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.239 -173.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.1 -51.57 52.68 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.905 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.99 -42.41 99.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.777 0.798 . . . . 0.0 111.564 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HA ' HG21 ' A' ' 103' ' ' VAL . 44.9 mt -87.4 -28.6 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.039 -0.665 . . . . 0.0 112.631 -170.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.39 64.65 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.468 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -47.43 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.839 -0.745 . . . . 0.0 111.535 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' A' ' 100' ' ' LEU . 27.8 m -83.11 -25.05 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 49' ' ' LYS . 83.1 mt -78.94 -36.63 41.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.652 -174.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.799 -179.557 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p -78.81 159.93 27.62 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.238 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 ttt -82.62 159.82 22.62 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.796 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -130.0 108.53 10.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.33 168.77 11.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.517 1.151 . . . . 0.0 109.653 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 9.3 t -157.86 150.89 23.05 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 25.3 p-10 -24.91 -56.97 0.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.37 -50.67 15.19 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.628 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -70.84 -22.33 62.33 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.566 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -53.19 -60.4 3.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 111.923 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -76.18 -35.31 59.2 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.896 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.39 -23.74 67.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.453 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -55.74 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.644 -0.66 . . . . 0.0 111.425 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.68 -36.01 63.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.972 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -71.08 -14.87 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -97.59 0.02 OUTLIER Glycine 0 N--CA 1.461 0.337 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.962 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -172.38 84.67 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 170.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -154.13 121.85 2.95 Favored Pre-proline 0 C--N 1.322 -0.606 0 C-N-CA 118.608 -1.237 . . . . 0.0 111.488 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.95 110.61 0.39 Allowed 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.892 1.728 . . . . 0.0 112.633 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -143.99 120.91 5.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 tt -91.28 109.71 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.805 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.8 128.7 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.715 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.99 117.7 35.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -98.64 116.94 31.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -147.17 177.37 9.23 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.217 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.57 33.51 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.796 -1.162 . . . . 0.0 109.787 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.58 -11.39 59.86 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.01 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 19.1 p-90 -95.71 4.02 53.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.835 -0.541 . . . . 0.0 112.267 172.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 72' ' ' ILE . 4.2 t -78.24 153.4 31.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.248 1.023 . . . . 0.0 111.648 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.91 -68.12 1.22 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.13 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -83.32 9.17 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 CA-C-N 119.218 1.509 . . . . 0.0 113.867 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.573 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 26.7 m -75.8 -20.96 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.959 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 33' ' ' ARG . 7.5 mpt_? -63.28 -27.13 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.88 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.6 mtp -57.89 -58.38 8.66 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.728 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.429 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.3 ptm -86.35 6.55 29.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.42 -52.86 62.62 Favored Pre-proline 0 C--N 1.321 -0.662 0 O-C-N 121.136 -0.977 . . . . 0.0 113.011 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 83.3 Cg_endo -77.99 -20.21 11.78 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 CA-C-N 121.561 1.593 . . . . 0.0 113.579 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 93' ' ' LYS . 30.7 m -72.95 -31.73 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 118.211 -1.396 . . . . 0.0 110.739 175.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.01 -40.83 87.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.66 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -72.71 -30.38 64.16 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.645 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.1 -19.28 60.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.289 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.8 t80 -69.4 -39.67 77.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.745 0.783 . . . . 0.0 110.856 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.97 -20.39 65.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.689 171.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.4 -24.65 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.502 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.617 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.94 -56.13 3.86 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.293 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.96 -70.05 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 171.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -87.5 35.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.889 0.852 . . . . 0.0 110.4 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -153.64 -48.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.19 120.91 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.999 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.2 m -89.86 96.48 10.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.25 98.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.7 164.86 12.4 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.208 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -132.1 116.09 16.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.177 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 6' ' ' THR . 23.9 tp -111.01 129.87 55.77 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.123 171.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -84.42 110.98 19.05 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -74.57 -14.81 16.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.426 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 25.9 t0 -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.594 169.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.45 -40.34 73.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -114.59 105.95 52.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.51 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -105.69 10.86 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.578 0 N-CA-C 114.219 0.815 . . . . 0.0 114.219 -166.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 2.9 pp20? -83.12 -42.17 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 120.873 -1.142 . . . . 0.0 111.873 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 t -81.86 -25.7 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.185 -1.006 . . . . 0.0 112.514 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -66.23 -26.65 67.47 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.224 -0.99 . . . . 0.0 111.48 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -78.0 -29.92 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.697 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 25.8 mm-40 -70.25 -52.24 24.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.946 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -77.84 -33.16 52.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.454 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.13 70.66 1.33 Allowed Glycine 0 CA--C 1.519 0.285 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.43 94.55 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.2 mtt -92.02 -18.06 24.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.626 -1.23 . . . . 0.0 112.705 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -145.75 100.84 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.275 -1.37 . . . . 0.0 110.898 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.637 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.3 pp -68.87 150.4 97.63 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.207 171.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 94.1 Cg_endo -81.55 156.97 81.76 Favored 'Cis proline' 0 C--N 1.323 -0.771 0 C-N-CA 123.324 -1.532 . . . . 0.0 111.833 2.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.409 HG21 HG23 ' A' ' 88' ' ' ILE . 54.8 m -142.27 119.21 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.922 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.19 126.21 51.83 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.531 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mt -132.95 128.66 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.566 -0.853 . . . . 0.0 109.165 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.71 127.05 41.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.14 132.13 56.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -107.56 -42.75 4.69 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.857 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.22 60.09 0.51 Allowed Glycine 0 N--CA 1.46 0.288 0 C-N-CA 119.16 -1.495 . . . . 0.0 110.986 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.7 40.9 85.24 Favored Glycine 0 N--CA 1.462 0.373 0 C-N-CA 119.775 -1.202 . . . . 0.0 112.004 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.84 120.73 1.04 Allowed Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.23 113.89 3.9 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.241 1.294 . . . . 0.0 109.929 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.88 -42.95 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.411 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.05 125.95 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.784 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -107.04 124.82 50.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.525 HD23 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -135.0 142.3 46.41 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.786 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.437 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.93 175.15 10.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.196 0.998 . . . . 0.0 110.717 -171.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.44 -159.64 35.35 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -91.85 128.77 37.81 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.319 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.429 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -133.4 122.47 17.03 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.94 163.98 5.27 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.259 1.306 . . . . 0.0 112.536 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 28.2 ttpt -60.36 -29.39 68.89 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.193 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.85 -34.67 73.92 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.824 -0.548 . . . . 0.0 111.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -71.96 -44.17 64.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.007 0.908 . . . . 0.0 109.863 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -58.36 -49.24 77.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.023 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.59 -37.58 86.81 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.366 -0.834 . . . . 0.0 112.434 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.357 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.525 HE21 HD23 ' A' ' 87' ' ' LEU . 13.4 tp60 -58.25 -49.87 75.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.681 0.753 . . . . 0.0 111.293 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.34 -23.3 50.93 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.357 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 -36.85 73.4 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.283 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.91 -47.16 78.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.545 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.13 -29.1 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.43 -30.59 64.75 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.773 177.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 121.441 0.639 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 p -106.56 148.84 27.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.146 0.974 . . . . 0.0 110.101 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 tpt -87.9 165.47 15.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.839 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -132.95 117.67 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.601 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.5 176.07 5.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.736 1.255 . . . . 0.0 110.253 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 9.0 t -156.4 173.85 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -43.63 -44.75 6.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.63 -45.84 9.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.464 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -69.46 -25.38 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.439 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' THR . 61.4 t80 -58.86 -51.24 70.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.984 0.421 . . . . 0.0 111.81 178.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -67.3 -30.27 70.08 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.596 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -74.12 -31.94 62.98 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.492 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.16 -48.58 56.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.29 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.93 -27.89 20.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 119.709 -0.797 . . . . 0.0 112.391 -173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -74.43 -14.91 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -86.75 0.05 OUTLIER Glycine 0 N--CA 1.462 0.368 0 C-N-CA 119.774 -1.203 . . . . 0.0 112.985 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -162.57 -51.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.898 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -64.64 131.69 95.2 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.747 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.96 117.86 4.34 Favored 'Trans proline' 0 C--N 1.326 -0.632 0 C-N-CA 121.67 1.58 . . . . 0.0 112.167 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -107.27 117.94 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.0 tp -87.07 109.9 19.73 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.455 172.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.5 t -86.75 132.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.653 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.37 106.09 17.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -83.99 121.52 27.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -147.21 177.21 9.37 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.415 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.35 156.8 46.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.458 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -28.74 64.12 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.323 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.596 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.606 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.2 t -66.75 143.8 56.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.207 1.003 . . . . 0.0 111.304 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.25 -59.11 1.49 Allowed Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.593 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.4 -2.03 12.17 Favored 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 119.71 1.755 . . . . 0.0 113.841 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 31.0 m -74.0 -24.98 59.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.235 174.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.08 -26.28 62.99 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.242 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mtt -64.65 -41.66 95.97 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.313 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 ptp -80.57 -7.34 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.007 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.69 -57.28 13.88 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 112.968 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 78.3 Cg_endo -67.76 -33.68 26.68 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.533 1.583 . . . . 0.0 112.613 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.6 t -56.8 -44.8 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 HD12 ' HZ2' ' A' ' 54' ' ' LYS . 23.7 mt -72.38 -28.19 62.85 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.814 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -67.59 -40.98 84.77 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.574 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' CD ' ' HZ2' ' A' ' 93' ' ' LYS . 52.1 mt-10 -66.34 -34.96 79.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 110.921 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 32.6 t80 -72.0 -42.22 66.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.721 0.772 . . . . 0.0 112.034 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -25.59 66.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.954 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.29 -17.6 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.612 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.08 -54.79 6.32 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.782 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 92.2 m-70 -89.5 -50.39 6.12 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.517 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 68.54 -83.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 168.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.42 37.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.18 0.991 . . . . 0.0 110.406 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HG3' HD21 ' A' ' 104' ' ' LEU . 18.0 tppt? -145.11 -42.13 0.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.53 164.78 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.536 1.16 . . . . 0.0 110.707 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -139.92 88.38 2.23 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 165.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' CG2' ' HB1' ' A' ' 43' ' ' ALA . 1.1 m -70.1 98.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.32 179.86 4.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.853 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HZ2' HD12 ' A' ' 39' ' ' LEU . 70.8 mmtt -141.71 108.63 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.482 -171.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -115.64 133.58 55.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -81.89 117.66 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.314 -0.954 . . . . 0.0 108.748 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.31 -14.65 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.81 -40.81 24.37 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.393 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.72 -47.97 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.507 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -98.84 118.44 62.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.773 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -101.27 -10.77 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 120.75 0.966 . . . . 0.0 114.314 -167.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -78.74 -45.22 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.407 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -79.81 -34.31 39.64 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.707 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -65.16 -27.83 68.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.695 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -77.88 -32.31 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.469 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.1 -49.53 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.288 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.57 -29.62 24.0 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.851 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.0 74.62 1.22 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.276 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.6 99.43 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -96.7 9.26 42.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.87 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.2 t -156.38 157.18 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.301 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.606 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -141.98 145.46 36.3 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 95.7 Cg_endo -83.95 138.01 29.59 Favored 'Cis proline' 0 C--N 1.324 -0.718 0 C-N-CA 123.235 -1.569 . . . . 0.0 111.008 3.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -112.71 118.53 35.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.955 0.883 . . . . 0.0 109.373 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.39 126.03 41.31 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.247 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.19 125.08 32.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tt -93.33 134.11 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.885 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 83.5 m-85 -115.82 131.98 56.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.134 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -91.92 -71.35 0.64 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.668 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.23 53.12 0.71 Allowed Glycine 0 N--CA 1.462 0.41 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.3 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.8 45.49 7.2 Favored Glycine 0 N--CA 1.461 0.309 0 C-N-CA 119.687 -1.244 . . . . 0.0 111.073 -177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.68 118.1 1.33 Allowed Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 60.4 Cg_endo -72.88 120.03 6.41 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.345 1.363 . . . . 0.0 110.679 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.6 m -78.62 -45.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.434 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -148.35 161.82 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.149 0.976 . . . . 0.0 110.059 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -142.6 110.23 5.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.181 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -119.27 159.38 24.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.443 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -141.39 165.16 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 119.101 -1.04 . . . . 0.0 111.481 -167.077 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.32 171.23 42.76 Favored Glycine 0 N--CA 1.461 0.32 0 C-N-CA 120.033 -1.079 . . . . 0.0 110.539 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.88 119.36 14.9 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.664 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.488 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.1 pt20 -119.57 120.78 30.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.541 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD2' ' HG3' ' A' ' 95' ' ' GLN . 53.5 Cg_exo -49.11 166.86 0.15 Allowed 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.096 1.864 . . . . 0.0 114.622 178.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.489 ' HZ2' ' CD ' ' A' ' 41' ' ' GLU . 34.4 ttpt -60.42 -36.11 77.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.562 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.54 -29.76 70.43 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.851 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 21.0 mm100 -75.32 -38.55 60.19 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 111.044 173.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.4 mm? -56.63 -53.81 53.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.902 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.75 -44.21 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.462 -171.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.23 86.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.921 0.867 . . . . 0.0 111.378 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.91 -48.95 78.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.066 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . 3.7 mm? -72.56 -33.74 67.01 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.739 -0.785 . . . . 0.0 112.766 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.1 66.6 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.144 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.53 -43.03 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.883 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.2 m -85.12 -28.23 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.451 HD21 ' HG3' ' A' ' 49' ' ' LYS . 90.7 mt -75.52 -12.98 60.34 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.911 -173.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.838 179.681 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p -111.57 155.85 22.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.419 1.104 . . . . 0.0 111.203 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 tpt -88.72 162.15 16.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.577 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -132.53 116.47 16.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.148 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -95.87 170.65 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.903 1.335 . . . . 0.0 110.216 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -152.25 168.46 25.32 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.86 -41.5 11.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.49 -41.87 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.303 -0.873 . . . . 0.0 112.396 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -66.82 -29.08 68.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.828 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.35 -45.17 80.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.147 0.499 . . . . 0.0 111.953 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.14 -34.65 78.07 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.844 -0.742 . . . . 0.0 112.026 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.51 -25.53 28.74 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.973 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.72 -46.59 71.77 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.72 -0.612 . . . . 0.0 112.515 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 pt -77.84 -26.11 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.606 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -70.98 -15.42 62.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.41 -88.08 0.02 OUTLIER Glycine 0 N--CA 1.46 0.243 0 C-N-CA 119.732 -1.223 . . . . 0.0 112.963 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -158.34 -65.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.651 -173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -80.16 167.33 34.12 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.944 -167.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -56.64 137.26 80.25 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.797 1.665 . . . . 0.0 113.061 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.31 109.69 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 tt -87.21 115.97 24.97 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.395 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.43 127.51 45.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.906 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.05 107.77 20.33 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -84.52 114.52 22.01 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -143.12 173.75 11.29 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.516 -172.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.0 154.72 50.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.35 1.071 . . . . 0.0 110.272 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.756 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -89.03 0.88 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.568 -0.707 . . . . 0.0 112.474 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 72' ' ' ILE . 5.0 t -72.64 153.2 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.342 1.068 . . . . 0.0 112.23 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.23 -60.0 1.14 Allowed Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.545 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.5 Cg_endo -73.13 -4.54 15.6 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 CA-C-N 119.739 1.769 . . . . 0.0 114.013 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 m -76.86 -21.91 54.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.335 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 33' ' ' ARG . 3.9 mpt_? -65.53 -31.0 71.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.483 -0.761 . . . . 0.0 111.622 173.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 82.5 mtp -67.41 -45.92 74.72 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.576 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ptp -82.18 -3.41 54.91 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.822 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -45.24 -50.46 28.58 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.4 Cg_endo -76.06 -36.09 2.12 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-N 121.472 1.562 . . . . 0.0 113.451 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -64.76 -34.88 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.777 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.1 -40.09 82.68 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.745 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.79 -37.22 86.89 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.714 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.929 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 23.6 t80 -72.65 -43.3 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.807 0.813 . . . . 0.0 111.365 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.19 64.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.954 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -88.78 -12.34 42.37 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.19 -1.004 . . . . 0.0 111.782 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.12 -54.49 5.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.984 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 94.4 m-70 -88.06 -48.65 7.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 -177.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.63 -92.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 170.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.06 -4.63 48.21 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.421 -0.912 . . . . 0.0 111.673 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 18.0 tppt? -92.19 -35.09 14.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.724 -0.61 . . . . 0.0 110.449 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.9 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.464 1.126 . . . . 0.0 110.94 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.5 m -130.67 90.1 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 163.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -78.75 99.39 3.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.4 179.67 4.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.033 0.92 . . . . 0.0 111.593 -169.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -142.26 109.29 5.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.7 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.39 133.41 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.03 115.06 22.63 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.761 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.07 -26.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.688 -0.805 . . . . 0.0 111.616 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.36 -48.92 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.83 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -79.01 -32.23 45.03 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -118.37 95.84 49.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.267 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -100.67 9.82 0.58 Allowed 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 120.772 0.981 . . . . 0.0 114.377 -168.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -88.05 -48.79 7.48 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.943 -173.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -79.59 -26.64 41.22 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.177 -1.009 . . . . 0.0 111.776 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.5 -24.64 64.69 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.477 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -83.68 -26.88 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.212 171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.95 -49.84 73.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.114 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -85.12 -31.53 23.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.585 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.48 77.02 1.24 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.4 mm -88.25 105.32 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.6 mtt -100.61 -3.91 29.52 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.753 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -159.79 104.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.755 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD11 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -85.46 150.55 54.41 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.577 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.54 141.58 56.33 Favored 'Cis proline' 0 C--N 1.326 -0.655 0 C-N-CA 123.114 -1.619 . . . . 0.0 111.533 4.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.2 m -118.34 118.05 30.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.173 0.987 . . . . 0.0 109.126 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.47 120.84 36.42 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.1 mt -130.51 126.19 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 119.456 -0.898 . . . . 0.0 108.849 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 103' ' ' VAL . 3.3 tm? -96.16 121.5 38.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.281 -178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.4 m-85 -107.2 151.76 24.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.043 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -119.8 -61.48 1.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.688 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.78 53.75 0.7 Allowed Glycine 0 N--CA 1.462 0.394 0 C-N-CA 119.414 -1.374 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.59 32.22 11.9 Favored Glycine 0 N--CA 1.461 0.357 0 C-N-CA 119.836 -1.173 . . . . 0.0 111.811 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.47 118.21 1.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.402 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 73.2 Cg_endo -71.72 113.5 3.67 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.292 1.328 . . . . 0.0 109.323 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.29 -45.97 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.427 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -143.26 145.3 32.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.206 1.003 . . . . 0.0 109.685 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -124.85 111.05 15.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.134 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -121.81 148.09 45.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.365 1.078 . . . . 0.0 108.563 169.338 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.95 161.8 35.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.616 -167.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.35 -173.11 35.41 Favored Glycine 0 N--CA 1.46 0.248 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.182 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -81.22 126.72 31.87 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.465 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.45 HE22 HD13 ' A' ' 87' ' ' LEU . 7.1 pt20 -141.94 122.49 8.44 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.97 171.48 1.6 Allowed 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 121.351 1.368 . . . . 0.0 114.117 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.72 -42.09 56.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.86 -30.12 71.1 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.458 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -73.37 -41.54 63.27 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.539 173.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.541 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -57.48 -56.14 25.7 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.387 172.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.53 -44.93 85.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.986 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -50.3 73.86 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -56.2 -53.23 59.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.072 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.2 -30.42 60.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.623 -0.831 . . . . 0.0 112.616 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.7 62.13 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.153 -0.967 . . . . 0.0 112.33 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -67.53 -46.86 71.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.727 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 77' ' ' LEU . 21.7 m -83.04 -24.99 8.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.434 HD21 ' HG3' ' A' ' 49' ' ' LYS . 87.0 mt -77.95 -29.81 50.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.711 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.708 177.328 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.984 0.897 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -87.02 151.71 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.113 0.958 . . . . 0.0 111.174 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 159.9 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.032 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -134.97 111.78 10.09 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.189 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.962 1.363 . . . . 0.0 110.584 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' ASP . 6.8 t -156.48 157.32 35.26 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.8 p-10 -25.93 -54.42 0.06 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.84 -49.74 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.613 -0.679 . . . . 0.0 112.606 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -66.74 -32.52 73.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.606 0.717 . . . . 0.0 110.789 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -48.36 -48.71 36.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.053 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.86 -50.07 65.89 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.959 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.68 -35.9 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.984 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.47 93.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 pt -83.38 -24.23 8.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.631 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -71.24 -16.23 62.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -90.9 0.02 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.498 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.88 -60.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.026 -1.07 . . . . 0.0 111.133 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.616 ' HZ2' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -72.5 146.53 88.92 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.222 -172.715 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -53.2 148.82 30.45 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.996 1.797 . . . . 0.0 115.575 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -144.77 116.92 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 tp -78.93 130.0 35.12 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.218 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 94.9 t -106.7 141.68 21.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.494 -0.883 . . . . 0.0 108.626 175.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 115.29 24.54 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 69.4 m-85 -99.27 112.44 24.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.05 173.94 13.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.477 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.08 158.13 44.34 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.957 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.53 -33.85 35.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.509 -0.876 . . . . 0.0 111.479 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 59.0 p-90 -74.45 1.36 12.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.462 -0.773 . . . . 0.0 112.629 172.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.68 ' SG ' HD13 ' A' ' 72' ' ' ILE . 7.7 t -66.09 155.7 36.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.705 1.24 . . . . 0.0 112.975 -171.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' SG ' ' A' ' 29' ' ' CYS . . . -95.81 -61.98 0.99 Allowed Glycine 0 CA--C 1.521 0.445 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.29 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 74.4 Cg_endo -73.87 -12.57 24.07 Favored 'Trans proline' 0 C--N 1.328 -0.552 0 CA-C-N 119.533 1.667 . . . . 0.0 113.808 -175.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.511 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 m -73.45 -6.55 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.974 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -63.04 -33.39 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.622 -0.674 . . . . 0.0 112.166 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 44.8 mtt -68.89 -48.35 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.178 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.4 ptp -78.52 -0.99 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.55 -59.02 8.11 Favored Pre-proline 0 C--N 1.322 -0.613 0 O-C-N 121.341 -0.849 . . . . 0.0 113.288 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.17 -22.45 34.76 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 CA-C-N 121.607 1.61 . . . . 0.0 113.149 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.37 -49.66 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.357 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -68.23 -43.42 78.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.635 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.05 -32.95 72.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.584 173.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 8.3 t80 -74.92 -45.2 44.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -169.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.32 -29.63 69.87 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.68 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.84 -5.51 58.57 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.074 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.41 -56.45 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 91.3 m-70 -81.16 -54.21 5.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 60.91 -88.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 169.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.11 43.04 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.252 1.025 . . . . 0.0 110.468 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 47' ' ' ALA . 16.7 tppt? -153.49 -56.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 46' ' ' HIS . 9.9 p -95.51 155.24 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.617 0.722 . . . . 0.0 109.654 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -117.15 96.62 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.55 96.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.48 168.48 10.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.804 0.811 . . . . 0.0 110.148 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.13 117.2 19.59 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.551 -170.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.34 116.58 23.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -78.21 122.57 25.84 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.459 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -70.2 -15.46 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.598 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 38.6 t70 -82.09 -50.73 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.525 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -76.43 -37.92 56.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.799 -0.761 . . . . 0.0 111.724 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -113.55 94.51 32.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.115 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -89.57 2.04 5.61 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 121.234 1.289 . . . . 0.0 113.691 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.37 -44.29 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.315 -0.954 . . . . 0.0 112.285 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 t -80.08 -31.93 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.598 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -69.91 -30.66 68.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.599 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 m -80.03 -30.34 39.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.216 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.28 -43.8 90.05 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.509 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -76.21 -36.38 58.64 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.004 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.93 64.63 0.95 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.6 mm -85.07 95.15 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mtm -89.2 -24.56 22.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.859 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.8 t -132.2 91.17 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.962 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.68 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.1 pp -73.57 146.42 86.01 Favored Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.643 172.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 83.6 Cg_endo -81.5 148.5 72.43 Favored 'Cis proline' 0 C--N 1.324 -0.748 0 C-N-CA 123.082 -1.633 . . . . 0.0 111.181 2.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -132.84 124.66 28.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD13 HD21 ' A' ' 96' ' ' LEU . 18.8 mt -113.98 138.58 50.16 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.63 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.8 mt -145.7 124.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -97.05 137.78 35.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.61 -1.236 . . . . 0.0 109.604 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -116.21 156.37 26.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.685 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.65 ' HB3' ' HZ1' ' A' ' 79' ' ' LYS . 9.3 mtpm? -110.49 -75.05 0.63 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.118 173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.18 51.62 0.76 Allowed Glycine 0 N--CA 1.462 0.385 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.162 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.31 25.45 36.56 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.767 -1.206 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 3.3 tmt_? -146.45 123.76 5.98 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.07 128.14 15.33 Favored 'Trans proline' 0 C--N 1.322 -0.816 0 C-N-CA 121.389 1.393 . . . . 0.0 111.17 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 t -71.76 -56.54 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.557 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -141.83 142.94 33.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.057 0.932 . . . . 0.0 108.698 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -120.47 112.97 19.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.669 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -114.93 152.36 32.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 169.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.66 169.73 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.415 1.102 . . . . 0.0 111.582 -166.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.74 -162.23 52.9 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.874 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -81.27 133.93 35.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.434 1.111 . . . . 0.0 108.573 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.99 108.22 15.24 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -48.81 158.03 1.36 Allowed 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.761 1.641 . . . . 0.0 112.797 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.43 -21.71 51.88 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.929 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.75 -46.28 72.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.727 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -65.48 -45.26 84.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.66 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.8 mt -57.41 -51.03 71.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.18 -39.42 92.64 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.85 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.1 66.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.883 0.849 . . . . 0.0 111.366 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -64.82 -50.93 64.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.37 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.75 -29.84 56.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.148 -173.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.77 -28.11 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.201 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.38 -42.12 83.89 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.578 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.66 -25.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.5 mt -81.7 -32.06 31.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.05 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.066 -177.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 121.739 0.78 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.434 HG22 HG22 ' A' ' 52' ' ' VAL . 68.5 p -90.59 160.68 15.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.272 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.3 tpt -92.94 165.75 12.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -140.37 119.07 12.39 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.09 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.88 -179.87 4.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.656 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -161.46 156.83 24.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' H ' ' CG ' ' A' ' 60' ' ' ASN . 14.0 p-10 -35.94 -43.3 0.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.88 -55.64 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.739 -0.601 . . . . 0.0 112.19 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -69.21 -22.91 63.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.447 0.641 . . . . 0.0 111.634 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.05 -51.82 62.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.352 0.596 . . . . 0.0 111.755 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -67.96 -29.03 67.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -76.24 -26.64 56.22 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.245 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.95 12.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.75 -0.594 . . . . 0.0 111.528 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 pt -74.97 -33.44 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.931 -172.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.79 -20.42 60.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.92 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.5 -81.47 0.06 OUTLIER Glycine 0 N--CA 1.461 0.338 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.641 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -164.6 -46.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.702 -1.199 . . . . 0.0 113.055 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.03 164.05 19.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.804 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.93 145.05 98.53 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 122.124 1.882 . . . . 0.0 113.463 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -149.99 118.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.0 tp -82.48 128.19 34.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.907 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.07 123.8 58.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -100.15 106.38 18.08 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -83.51 118.96 24.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -151.6 178.99 8.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.263 -0.975 . . . . 0.0 109.921 -169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.06 155.31 43.27 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.051 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.87 63.65 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.664 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -77.84 -2.73 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -63.02 150.26 42.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.262 1.03 . . . . 0.0 111.859 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.08 -66.05 1.32 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.461 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 -9.8 26.25 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 CA-C-N 119.186 1.493 . . . . 0.0 113.948 -175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 m -69.07 -24.48 64.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.108 -0.995 . . . . 0.0 111.092 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.02 -27.36 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.559 -0.713 . . . . 0.0 111.946 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.8 mtp -68.91 -27.49 65.82 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.005 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.7 mtp -77.66 -10.24 59.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.31 35.35 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.383 -0.823 . . . . 0.0 112.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.44 3.61 6.65 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 CA-C-N 121.498 1.571 . . . . 0.0 114.794 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.03 -44.8 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.918 -1.114 . . . . 0.0 110.599 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.79 -36.12 82.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.0 -42.12 97.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.481 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -73.83 -23.86 59.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.762 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 21.7 t80 -76.7 -46.51 25.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.615 0.722 . . . . 0.0 111.789 -176.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.34 -28.96 69.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.97 -11.83 54.63 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.381 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.936 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -81.58 -63.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.86 -74.72 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -84.65 24.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.742 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -142.0 -46.62 0.35 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.024 -0.671 . . . . 0.0 109.695 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 p -95.93 148.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.934 -175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -115.08 82.51 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 166.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.434 HG22 HG22 ' A' ' 2' ' ' THR . 3.8 m -72.77 95.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.41 174.12 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.45 -170.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -137.32 104.75 5.48 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.585 -171.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tt -108.19 129.05 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -83.16 120.1 25.36 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.448 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.67 -20.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.298 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.39 -35.86 71.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.226 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.64 -48.39 8.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.796 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 65.8 m-80 -107.15 116.74 57.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.86 -168.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -100.49 -6.19 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.032 1.155 . . . . 0.0 114.21 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.51 -39.52 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.876 -169.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -76.01 -32.51 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.988 -1.085 . . . . 0.0 111.931 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 t -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.946 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -78.88 -35.57 43.48 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.209 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -61.76 -42.15 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.902 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 78' ' ' PHE . 24.3 m-85 -93.55 -39.34 10.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.42 -0.912 . . . . 0.0 111.678 -174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.91 78.59 1.42 Allowed Glycine 0 N--CA 1.461 0.317 0 C-N-CA 119.57 -1.3 . . . . 0.0 110.211 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.32 119.28 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.9 mtt -91.77 -34.49 14.58 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.571 -0.852 . . . . 0.0 112.394 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -159.08 117.94 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.048 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.52 151.22 82.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.494 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.34 144.84 69.56 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 C-N-CA 123.254 -1.561 . . . . 0.0 111.002 1.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.6 m -130.8 117.14 18.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.95 127.52 53.51 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.561 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.53 136.09 46.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 119.567 -0.853 . . . . 0.0 109.247 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -103.01 132.92 48.92 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 119.591 -0.844 . . . . 0.0 108.987 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.5 m-85 -115.88 143.5 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.698 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -100.31 -76.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.976 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.4 54.08 0.65 Allowed Glycine 0 N--CA 1.461 0.345 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.522 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.12 41.99 16.64 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.712 -1.232 . . . . 0.0 111.291 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -155.73 115.53 2.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.1 Cg_endo -73.39 119.7 6.12 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.273 1.315 . . . . 0.0 110.431 -172.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.45 -50.11 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.089 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -151.01 155.42 39.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.087 0.946 . . . . 0.0 109.726 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -137.96 126.93 24.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.83 0.824 . . . . 0.0 108.935 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 137.66 38.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.91 173.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.637 -164.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.2 -165.55 29.09 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.45 106.56 18.05 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 118.729 -1.188 . . . . 0.0 107.972 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.66 114.5 58.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.7 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.49 172.27 0.24 Allowed 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.885 1.723 . . . . 0.0 114.473 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -54.67 -35.69 63.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.83 170.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.29 -36.76 77.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.167 0.508 . . . . 0.0 111.505 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -73.41 -44.46 58.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.66 0.743 . . . . 0.0 110.503 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 10.9 mt -55.26 -57.67 10.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.506 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.51 -37.4 72.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.23 76.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.056 0.931 . . . . 0.0 110.893 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.19 -48.38 80.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.621 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.69 -28.05 60.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.284 -0.966 . . . . 0.0 112.864 -172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.27 71.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.206 -0.998 . . . . 0.0 112.434 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.656 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.56 -21.91 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.1 mt -80.11 -36.22 35.65 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.299 -0.96 . . . . 0.0 112.912 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.242 -179.282 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 121.263 0.554 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -144.59 155.12 43.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.417 1.103 . . . . 0.0 111.163 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.3 tpt -102.69 168.49 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.423 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 m -135.95 122.66 21.05 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.888 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.55 171.76 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.809 1.29 . . . . 0.0 110.436 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.7 t -151.76 160.02 43.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' THR . 8.3 p-10 -37.34 -43.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -169.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.98 -51.43 7.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.385 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -65.73 -31.42 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.028 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.11 -48.01 44.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.13 -40.04 96.44 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.425 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -75.08 -30.26 60.9 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.844 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.74 81.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.378 0.609 . . . . 0.0 112.278 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.55 -26.22 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.58 -173.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.67 -15.14 62.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -85.28 0.02 OUTLIER Glycine 0 N--CA 1.462 0.415 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.971 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -167.55 -67.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.157 -1.017 . . . . 0.0 110.257 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -71.98 143.79 86.93 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.657 -173.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -42.43 127.36 4.29 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 122.181 1.921 . . . . 0.0 114.596 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.1 t -117.76 118.42 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.71 131.37 36.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.829 -1.149 . . . . 0.0 109.156 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.9 130.83 61.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.433 171.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 1.4 m-20 -102.46 107.59 18.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -82.06 126.44 32.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -144.26 170.58 15.72 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.936 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.47 153.25 51.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.765 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.44 65.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.398 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -81.53 -12.14 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.647 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.675 ' SG ' HD12 ' A' ' 72' ' ' ILE . 5.4 t -69.05 140.12 54.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.287 1.041 . . . . 0.0 111.463 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.95 -58.71 1.86 Allowed Glycine 0 CA--C 1.521 0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.848 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.92 -1.26 10.96 Favored 'Trans proline' 0 C--N 1.326 -0.615 0 CA-C-N 119.877 1.839 . . . . 0.0 113.931 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.5 m -73.56 -27.15 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.294 -0.962 . . . . 0.0 111.187 172.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.8 -27.13 64.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.237 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.7 mtp -63.24 -47.79 80.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.112 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -86.76 1.49 52.03 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.973 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -51.24 -52.28 60.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 O-C-N 120.874 -1.141 . . . . 0.0 113.084 173.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 94.9 Cg_endo -78.3 -23.75 8.52 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 CA-C-N 121.434 1.548 . . . . 0.0 113.523 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 93' ' ' LYS . 3.9 p -74.78 -25.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.151 -1.019 . . . . 0.0 110.761 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.85 -30.71 62.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.052 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.96 -40.74 98.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.467 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.19 -31.0 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.564 0.697 . . . . 0.0 111.513 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.3 t80 -69.18 -39.86 78.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.623 0.725 . . . . 0.0 111.733 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.54 -25.98 66.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.439 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.55 -27.51 55.94 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.335 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -53.5 14.46 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.124 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -88.66 -49.25 6.98 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.789 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.99 -85.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.92 36.07 0.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.133 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -148.05 -35.67 0.21 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.501 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.64 141.36 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.277 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -104.23 114.7 29.12 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.45 95.94 5.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.67 171.75 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.019 0.914 . . . . 0.0 111.782 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -126.74 117.45 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.617 -173.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -114.69 123.24 48.78 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -87.18 113.37 22.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.102 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.65 -16.94 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.3 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.73 -42.36 64.2 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.025 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -75.15 -45.6 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.501 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -103.68 113.72 65.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.922 -170.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -95.28 -15.46 0.53 Allowed 'Trans proline' 0 C--N 1.326 -0.652 0 C-N-CA 121.082 1.188 . . . . 0.0 113.503 -170.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -88.75 -35.83 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.127 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.5 m -64.4 -39.32 93.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.54 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -69.14 -26.21 64.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.979 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.9 t -80.71 -32.86 35.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.85 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -62.61 -47.84 82.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.257 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.08 -29.27 16.64 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.765 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.07 80.37 1.21 Allowed Glycine 0 N--CA 1.461 0.312 0 C-N-CA 119.403 -1.38 . . . . 0.0 110.098 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.51 HG22 ' HG1' ' A' ' 74' ' ' THR . 38.2 mm -91.0 101.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.9 mtt -79.97 -33.36 39.55 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.211 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -153.14 111.59 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.112 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.675 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -78.94 150.66 75.4 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.789 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.44 139.11 42.71 Favored 'Cis proline' 0 C--N 1.326 -0.638 0 C-N-CA 123.22 -1.575 . . . . 0.0 111.294 4.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.51 ' HG1' HG22 ' A' ' 69' ' ' ILE . 17.4 m -117.6 123.85 47.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.855 0.836 . . . . 0.0 109.412 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.3 122.81 42.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.67 125.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.458 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -95.47 127.5 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CE2' ' HG3' ' A' ' 83' ' ' PRO . 52.9 m-85 -109.59 149.82 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.82 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -141.74 106.97 4.98 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.43 68.28 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 119.783 -1.199 . . . . 0.0 111.945 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.68 52.39 20.69 Favored Glycine 0 N--CA 1.46 0.276 0 C-N-CA 119.909 -1.139 . . . . 0.0 111.047 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -156.46 105.69 2.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -175.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 71.8 Cg_exo -63.62 120.14 7.44 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.494 1.462 . . . . 0.0 112.223 -176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.36 -43.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.591 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -142.66 157.0 45.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.007 0.908 . . . . 0.0 109.562 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -137.7 102.79 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.451 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.721 ' HB2' HE22 ' A' ' 91' ' ' GLN . 3.3 mp -94.73 163.94 13.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.062 172.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.83 138.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 109.36 -176.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.17 178.78 30.24 Favored Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.869 -1.158 . . . . 0.0 111.319 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -73.35 130.66 40.65 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.037 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.721 HE22 ' HB2' ' A' ' 87' ' ' LEU . 10.9 pt20 -133.11 121.27 16.65 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -54.45 168.25 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.921 1.747 . . . . 0.0 113.799 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 32.9 ttpt -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.633 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -69.26 -42.03 76.13 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.228 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.818 0.818 . . . . 0.0 110.67 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -63.83 -51.21 65.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.743 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.32 -46.01 85.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -46.12 86.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.97 0.89 . . . . 0.0 111.346 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.518 HE21 HD23 ' A' ' 87' ' ' LEU . 3.9 tp-100 -64.26 -54.52 32.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.279 -177.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -26.84 62.72 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.17 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.09 65.85 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.946 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.82 -42.23 95.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.975 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.55 -27.31 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.609 -0.836 . . . . 0.0 113.152 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.45 -18.1 61.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.811 -178.046 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 121.343 0.592 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 p -90.17 155.84 18.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.098 0.951 . . . . 0.0 111.045 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -85.17 170.9 12.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m -134.37 110.07 9.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.013 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.05 178.46 5.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.494 1.14 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -156.48 169.8 23.79 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -39.33 -50.7 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.69 -37.97 13.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.501 -0.879 . . . . 0.0 112.478 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -70.4 -33.35 71.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.77 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -54.52 -54.11 45.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.015 0.436 . . . . 0.0 111.83 176.144 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.04 -35.67 81.0 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.304 -0.959 . . . . 0.0 111.569 -175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -74.65 -30.94 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.823 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.09 90.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.463 0.649 . . . . 0.0 112.108 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.6 pt -76.48 -28.52 17.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.852 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -68.66 -11.11 59.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.9 -81.87 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.071 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -165.14 -50.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.854 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.6 172.37 4.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.152 -1.019 . . . . 0.0 112.587 -166.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -59.85 140.13 91.62 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 C-N-CA 121.948 1.766 . . . . 0.0 114.158 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -144.76 112.55 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 HD21 HG13 ' A' ' 52' ' ' VAL . 30.7 tp -83.04 125.7 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.914 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 10' ' ' PHE . 89.6 t -103.57 127.7 57.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 C-N-CA 119.234 -0.986 . . . . 0.0 108.406 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' HA ' HD13 ' A' ' 75' ' ' LEU . 8.1 m-20 -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.41 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 31.3 m-85 -89.8 126.8 35.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -155.0 177.82 10.89 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.848 -171.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.59 154.9 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.889 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.03 -33.73 70.6 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.259 -0.976 . . . . 0.0 111.411 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -74.5 -10.78 59.89 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.967 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.562 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.8 t -66.43 138.58 57.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.115 0.959 . . . . 0.0 111.487 -175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.3 -57.35 1.78 Allowed Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.145 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 120.169 1.985 . . . . 0.0 113.591 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 m -66.04 -20.53 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.164 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -71.29 -24.94 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.694 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.2 mtt -60.49 -52.35 65.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.898 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ptp -79.03 -2.0 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.59 -0.844 . . . . 0.0 113.086 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.52 -59.42 9.51 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 120.963 -1.086 . . . . 0.0 112.454 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -69.42 -22.07 34.17 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 121.568 1.596 . . . . 0.0 113.093 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.29 -44.46 97.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.739 172.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 HD12 ' HZ3' ' A' ' 54' ' ' LYS . 54.4 mt -75.42 -30.84 60.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.133 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.362 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.48 -36.39 80.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.543 0.687 . . . . 0.0 111.092 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 17.2 t80 -69.39 -39.35 78.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.708 0.766 . . . . 0.0 112.331 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.58 -29.55 69.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.699 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.5 -5.44 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.628 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.09 -53.21 8.66 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.129 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -92.24 -48.77 6.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 68.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 167.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.03 32.67 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.626 0.727 . . . . 0.0 111.275 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 47' ' ' ALA . 17.5 tppt? -154.16 -45.18 0.09 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.851 -0.74 . . . . 0.0 109.85 -171.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.67 145.47 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.268 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -125.19 89.05 2.98 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 170.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 5.2 m -80.58 100.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 119.205 -0.998 . . . . 0.0 108.463 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.76 -175.86 3.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.595 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HZ3' HD12 ' A' ' 39' ' ' LEU . 66.9 mmtt -137.79 111.8 8.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.051 -173.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -106.35 123.28 47.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -78.68 109.62 13.06 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.069 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.95 -18.0 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.439 -0.904 . . . . 0.0 112.456 -172.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.3 -36.16 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.292 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.92 -47.58 18.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.361 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -96.3 117.36 66.22 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.2 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -102.64 6.89 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 120.896 1.064 . . . . 0.0 113.906 -169.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -92.29 -39.66 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.869 -173.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 t -78.31 -28.03 47.35 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.069 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -62.92 -31.02 72.01 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 112.094 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -80.09 -29.16 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.593 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.4 -47.0 68.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.29 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.84 -21.06 16.52 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.347 -0.941 . . . . 0.0 112.641 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.69 88.58 0.56 Allowed Glycine 0 N--CA 1.461 0.348 0 C-N-CA 119.368 -1.396 . . . . 0.0 110.32 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mm -107.28 100.11 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -109.61 10.12 25.02 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.535 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.6 t -163.64 119.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.715 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.562 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.4 pp -100.64 150.81 37.31 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.563 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.72 141.4 29.47 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 122.918 -1.701 . . . . 0.0 111.877 5.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.415 HG23 HG23 ' A' ' 88' ' ' ILE . 2.3 m -111.97 123.1 49.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.838 0.828 . . . . 0.0 108.887 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.9 mm? -105.26 127.51 52.98 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.5 mt -136.67 127.04 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 103' ' ' VAL . 3.2 tm? -97.54 129.33 44.7 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.646 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -114.48 159.46 20.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.065 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -130.47 -72.92 0.56 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.654 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.64 57.48 0.43 Allowed Glycine 0 N--CA 1.462 0.387 0 C-N-CA 119.428 -1.368 . . . . 0.0 111.026 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.76 41.35 83.51 Favored Glycine 0 N--CA 1.462 0.367 0 C-N-CA 119.691 -1.242 . . . . 0.0 111.991 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.6 122.73 1.45 Allowed Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.03 123.86 8.18 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.217 1.278 . . . . 0.0 110.052 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.33 -39.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.865 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -145.41 151.01 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.353 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -130.24 113.53 14.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.894 0.854 . . . . 0.0 109.418 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD12 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -129.99 150.13 51.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.113 0.958 . . . . 0.0 108.609 171.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.462 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.65 168.39 18.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 122.12 0.962 . . . . 0.0 110.778 -167.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.69 177.12 51.81 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.795 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.78 124.22 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.203 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.595 HE22 HD12 ' A' ' 87' ' ' LEU . 5.3 pt20 -128.04 127.51 23.84 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -47.74 164.2 0.17 Allowed 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 122.086 1.857 . . . . 0.0 114.918 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -63.57 -29.24 70.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.517 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -68.39 -38.22 81.13 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.904 -0.719 . . . . 0.0 111.027 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -64.58 -43.3 94.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.114 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.1 mt -62.03 -49.02 77.67 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.661 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.1 -38.87 92.91 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.297 -0.961 . . . . 0.0 112.16 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.18 80.21 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.579 -0.849 . . . . 0.0 111.048 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -58.57 -52.42 65.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.88 -35.32 64.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.376 -0.93 . . . . 0.0 112.473 -173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.72 -27.46 67.93 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 120.73 -1.231 . . . . 0.0 112.598 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.82 -45.29 75.12 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.272 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.423 HG23 ' HG ' ' A' ' 77' ' ' LEU . 29.4 m -83.82 -24.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD23 ' HG3' ' A' ' 49' ' ' LYS . 95.9 mt -75.43 -40.4 57.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.823 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.239 179.113 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.369 0.604 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p -124.93 152.35 44.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.211 1.005 . . . . 0.0 110.376 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -87.61 163.63 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.056 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.7 m -132.98 118.95 19.46 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.379 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.31 172.64 6.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.815 1.293 . . . . 0.0 110.178 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.6 t -154.12 158.2 40.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.3 p-10 -34.91 -45.87 0.28 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.95 6.36 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.439 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -67.93 -28.55 67.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -51.26 -51.33 55.11 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -67.62 -34.86 77.85 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.599 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.23 71.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.323 0.582 . . . . 0.0 112.159 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.2 pt -76.83 -28.29 17.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.274 -173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.99 -14.3 61.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.56 -87.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.898 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.16 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.137 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.28 142.09 97.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.921 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -41.4 125.66 2.7 Favored 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 122.07 1.847 . . . . 0.0 114.151 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.94 115.97 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 tt -86.48 112.2 21.29 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.3 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.62 126.97 41.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.259 -0.976 . . . . 0.0 108.499 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' CB ' ' HZ3' ' A' ' 54' ' ' LYS . 3.6 m-20 -100.51 107.37 19.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.4 125.64 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -149.76 170.05 19.64 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.48 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.87 46.23 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.411 173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -30.27 66.9 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.289 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -82.35 -9.65 59.38 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.688 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' SG ' HD12 ' A' ' 72' ' ' ILE . 6.9 t -68.92 141.07 55.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.219 1.009 . . . . 0.0 111.466 -175.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.51 -60.2 1.65 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.91 -5.05 16.49 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 CA-C-N 119.716 1.758 . . . . 0.0 113.894 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -70.83 -25.17 62.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.369 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.88 -26.34 64.13 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.327 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.6 mtp -66.88 -29.16 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.332 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.573 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 13.5 mtp -77.84 -16.61 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.577 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -49.68 -53.62 39.72 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 60.6 Cg_endo -70.79 -36.49 7.99 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 CA-C-N 121.641 1.622 . . . . 0.0 113.62 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.8 -36.36 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.306 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD11 ' HZ2' ' A' ' 54' ' ' LYS . 84.0 mt -74.13 -30.25 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.688 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.2 -38.22 78.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.282 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.67 -30.31 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.182 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 29.6 t80 -79.37 -40.52 29.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.453 0.644 . . . . 0.0 112.318 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.91 74.72 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.851 -0.739 . . . . 0.0 111.558 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -85.65 -10.65 55.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.782 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -57.06 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.307 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.408 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 88.9 m-70 -90.22 -58.61 2.44 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.814 -0.754 . . . . 0.0 108.989 -177.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.04 -69.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.8 27.93 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.692 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.4 tppt? -145.35 -40.7 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.475 -171.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.96 139.36 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.704 0.764 . . . . 0.0 110.279 -174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 m -104.87 106.42 16.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.21 96.66 6.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.64 -178.73 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.027 0.918 . . . . 0.0 111.786 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HZ2' HD11 ' A' ' 39' ' ' LEU . 68.8 mmtt -140.57 111.18 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.054 -172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.25 121.36 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -84.16 115.36 22.37 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.708 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.13 -18.88 19.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.389 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.6 -44.97 40.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.294 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.33 -39.39 62.88 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.556 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -116.05 95.74 45.36 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.57 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -93.44 3.79 3.2 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.183 1.256 . . . . 0.0 113.532 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.19 -40.01 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.445 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 t -79.44 -28.78 41.65 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.051 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -66.74 -35.07 79.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.672 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.3 t -79.08 -29.19 43.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.323 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.13 -48.88 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.099 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -80.41 -36.59 33.58 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.693 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.63 77.21 1.31 Allowed Glycine 0 N--CA 1.461 0.312 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.1 121.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.831 0.824 . . . . 0.0 109.011 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.43 -51.2 68.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.065 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -170.42 127.45 0.8 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.409 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.505 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -73.08 145.56 86.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.755 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 90.4 Cg_endo -80.18 141.38 57.18 Favored 'Cis proline' 0 C--N 1.324 -0.732 0 C-N-CA 123.071 -1.637 . . . . 0.0 111.26 2.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -124.33 124.03 41.5 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.91 127.25 53.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.251 -0.979 . . . . 0.0 109.68 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.79 129.89 55.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -96.52 124.54 40.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.815 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -111.36 135.77 51.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.079 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.83 -76.03 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.873 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.85 50.89 0.74 Allowed Glycine 0 N--CA 1.463 0.436 0 C-N-CA 119.524 -1.322 . . . . 0.0 110.55 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.62 43.99 11.3 Favored Glycine 0 N--CA 1.46 0.289 0 C-N-CA 119.733 -1.222 . . . . 0.0 111.086 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -158.36 119.27 1.9 Allowed Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.84 119.63 5.48 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.143 1.229 . . . . 0.0 110.8 -173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.75 -41.63 21.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -143.33 155.89 44.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.241 1.019 . . . . 0.0 110.061 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -140.3 108.42 5.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.845 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.499 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.4 pt? -122.74 153.01 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.485 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.94 167.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 122.13 0.967 . . . . 0.0 111.245 -167.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.36 175.43 44.82 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.95 -1.119 . . . . 0.0 110.323 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -73.92 123.68 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.598 -1.241 . . . . 0.0 108.844 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.499 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.6 pt20 -127.38 112.51 21.23 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.112 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -61.63 175.71 1.57 Allowed 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 121.41 1.407 . . . . 0.0 112.775 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -29.3 68.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.539 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.49 -29.76 70.46 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.188 -1.005 . . . . 0.0 111.325 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.33 -42.0 23.76 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.958 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.89 -51.96 67.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.547 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HG2' ' HE2' ' A' ' 46' ' ' HIS . 45.5 mt-10 -66.09 -45.04 82.63 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.547 -168.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.77 76.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.076 0.941 . . . . 0.0 110.908 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.32 -45.83 87.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.127 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HA ' HG23 ' A' ' 103' ' ' VAL . 61.6 mt -85.71 -25.33 26.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -169.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.29 68.1 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.808 -1.182 . . . . 0.0 111.627 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.74 -44.6 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.654 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 100' ' ' LEU . 27.1 m -86.81 -27.34 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 HD22 ' HG3' ' A' ' 49' ' ' LYS . 85.1 mt -74.36 -29.54 61.61 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.574 -0.85 . . . . 0.0 112.02 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.864 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 121.502 0.668 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -100.07 146.93 26.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.155 0.978 . . . . 0.0 110.217 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -94.07 164.25 13.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.782 176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 m -131.39 116.78 17.99 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.216 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mp -104.47 169.56 8.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.986 1.374 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -153.58 166.95 31.16 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -38.45 -44.34 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.35 8.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.446 -0.784 . . . . 0.0 112.414 -174.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.74 -27.24 66.62 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.156 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 5' ' ' LEU . 66.6 t80 -55.52 -47.25 76.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.186 0.517 . . . . 0.0 112.207 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.38 -35.61 81.45 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.449 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.27 -26.8 52.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.973 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.71 51.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.311 0.577 . . . . 0.0 112.178 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 pt -74.92 -25.78 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.403 -174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -74.57 -10.87 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.53 -87.64 0.02 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.253 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.33 -69.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -78.31 167.94 31.46 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.141 -169.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.81 136.35 65.45 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.955 1.77 . . . . 0.0 113.845 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -132.44 114.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 tt -85.61 117.44 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.015 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.95 131.19 37.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HA ' HD21 ' A' ' 75' ' ' LEU . 2.5 m-20 -103.45 106.22 16.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -82.69 122.15 27.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -152.84 175.8 12.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.58 -0.848 . . . . 0.0 109.184 -170.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.87 44.77 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.619 172.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.48 63.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.607 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -85.81 -2.29 58.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.527 173.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.63 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.4 t -64.28 154.52 34.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.285 1.041 . . . . 0.0 111.834 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -100.51 -64.87 0.8 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.972 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.6 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 CA-C-N 119.23 1.515 . . . . 0.0 114.187 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 m -68.58 -29.51 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.948 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.23 -27.94 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.1 -0.64 . . . . 0.0 112.036 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.22 -45.54 87.8 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.074 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -85.48 1.7 47.74 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.056 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.07 -52.45 52.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 121.141 -0.974 . . . . 0.0 112.797 173.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 73.4 Cg_endo -73.52 -23.32 17.36 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-N 121.484 1.566 . . . . 0.0 113.975 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.3 m -73.62 -35.9 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.864 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.61 -38.15 90.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.56 -41.41 88.68 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.689 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.67 -29.15 70.42 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.084 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 15.7 t80 -76.55 -43.08 40.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.635 0.731 . . . . 0.0 112.166 -173.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.84 69.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.461 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.95 -5.45 53.11 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.75 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.25 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.408 -0.807 . . . . 0.0 110.079 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -89.06 -51.37 5.64 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.794 -0.762 . . . . 0.0 108.945 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 69.43 -79.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -81.47 26.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.754 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HG3' HD21 ' A' ' 104' ' ' LEU . 17.9 tppt? -141.29 -40.89 0.38 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.697 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.2 140.58 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.702 0.763 . . . . 0.0 110.198 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 m -110.21 107.58 17.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 168.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.31 94.66 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.9 -179.44 4.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.0 0.905 . . . . 0.0 111.661 -169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 23' ' ' ASP . 71.8 mmtt -140.52 114.32 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.768 -173.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.58 125.13 49.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -83.71 125.31 31.75 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.3 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.54 -26.23 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.853 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -79.32 -45.18 20.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.944 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.92 -40.75 46.15 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.92 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -111.52 104.84 56.53 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.855 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -93.26 -6.71 2.66 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.234 1.289 . . . . 0.0 113.908 -170.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -79.77 -44.84 19.92 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.536 -171.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -30.72 31.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.874 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -67.52 -32.21 72.85 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.587 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -80.06 -30.23 39.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.577 -0.849 . . . . 0.0 111.219 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.57 -47.0 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.329 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.42 -33.6 32.08 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.46 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.08 71.76 1.25 Allowed Glycine 0 N--CA 1.46 0.292 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mm -83.34 106.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.1 mtt -86.05 -25.86 25.67 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.457 -175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -156.93 115.02 3.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.715 -1.194 . . . . 0.0 110.755 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.63 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -82.05 146.35 55.11 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.816 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.5 130.68 16.52 Favored 'Cis proline' 0 C--N 1.325 -0.67 0 C-N-CA 123.129 -1.613 . . . . 0.0 111.536 4.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.3 m -106.31 116.75 32.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 23' ' ' ASP . 12.7 mt -102.72 126.46 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.707 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.53 126.68 58.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -94.15 125.09 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.634 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.36 146.79 32.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -106.47 -75.11 0.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.907 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.86 56.94 0.5 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.494 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.53 43.73 35.83 Favored Glycine 0 N--CA 1.461 0.347 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.206 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.46 122.38 1.77 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -176.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.74 122.2 8.33 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.25 1.3 . . . . 0.0 111.001 -174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.56 -58.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.171 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -145.54 167.79 22.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 0.0 109.926 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -139.93 117.1 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.285 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -127.56 151.66 48.61 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 167.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -137.94 166.49 23.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.29 -165.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -175.35 47.79 Favored Glycine 0 N--CA 1.46 0.263 0 C-N-CA 119.823 -1.179 . . . . 0.0 110.809 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -74.9 129.44 37.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.304 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.454 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.9 pt20 -133.14 120.06 15.95 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -54.77 163.15 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.541 1.494 . . . . 0.0 112.674 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -61.32 -29.02 69.62 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.151 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -73.3 -40.59 64.4 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.954 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -66.73 -37.06 83.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.335 1.064 . . . . 0.0 111.104 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.551 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 42.3 tp -71.84 -38.45 70.12 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.204 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.75 -45.32 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.82 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.835 0.826 . . . . 0.0 111.227 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.95 -48.34 73.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.802 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 55.4 mt -81.79 -21.81 37.51 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.674 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.88 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.436 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.07 -43.15 79.26 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.73 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.11 -29.38 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.493 -0.883 . . . . 0.0 113.103 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 49' ' ' LYS . 84.8 mt -76.73 -30.11 56.48 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.239 -173.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.142 -179.238 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 121.437 0.637 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -110.96 153.86 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.158 0.98 . . . . 0.0 110.092 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -93.69 164.56 13.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.179 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 m -134.56 118.23 17.04 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.66 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.56 174.86 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.843 1.306 . . . . 0.0 110.065 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.5 t -159.06 160.82 36.24 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.9 p-10 -34.28 -50.66 0.42 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -170.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.13 -45.6 12.82 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.59 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.77 -25.86 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.18 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.24 -47.45 72.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.32 -39.57 85.88 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.237 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -68.0 -35.56 78.51 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.711 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.31 0.576 . . . . 0.0 112.138 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.6 pt -77.07 -27.94 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.916 -0.714 . . . . 0.0 112.415 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.82 -10.69 60.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.62 -89.57 0.02 OUTLIER Glycine 0 N--CA 1.461 0.349 0 C-N-CA 119.809 -1.186 . . . . 0.0 112.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.1 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.004 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.19 161.09 80.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.52 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.15 136.37 72.96 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.744 1.629 . . . . 0.0 112.194 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.29 109.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tt -86.23 110.14 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.518 -1.273 . . . . 0.0 108.334 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.51 125.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 119.389 -0.924 . . . . 0.0 109.139 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.49 104.39 16.42 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -81.52 121.37 26.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -149.59 179.73 7.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.802 0.811 . . . . 0.0 109.518 -171.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.69 158.29 43.8 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.112 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.8 65.43 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.037 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -81.93 -2.99 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.63 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' HD12 ' A' ' 72' ' ' ILE . 18.2 t -65.46 141.84 58.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.383 1.087 . . . . 0.0 112.044 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.97 -59.73 1.75 Allowed Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.829 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.96 -13.0 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 119.806 1.803 . . . . 0.0 113.797 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.1 m -68.62 -24.96 64.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.271 -0.971 . . . . 0.0 111.144 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.74 -29.03 70.0 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.278 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.67 -45.11 91.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.914 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 3.4 ptm -86.96 3.05 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.599 -0.84 . . . . 0.0 113.248 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -53.14 -52.64 63.91 Favored Pre-proline 0 C--N 1.322 -0.604 0 O-C-N 120.743 -1.223 . . . . 0.0 111.727 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.2 Cg_endo -77.3 -26.74 7.16 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 CA-C-N 121.275 1.491 . . . . 0.0 113.505 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 35' ' ' MET . 1.0 OUTLIER -65.98 -34.53 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.238 -0.914 . . . . 0.0 111.173 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD11 ' HZ3' ' A' ' 54' ' ' LYS . 70.3 mt -73.92 -33.29 63.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.452 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -65.41 -37.18 86.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.802 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.92 -35.39 80.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.715 0.769 . . . . 0.0 110.869 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 39.0 t80 -74.16 -44.51 53.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.487 0.66 . . . . 0.0 112.509 -174.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.18 66.96 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.819 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.59 -33.59 60.59 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.884 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -55.07 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.584 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -85.03 -54.12 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.361 -176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 65.74 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 169.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -85.9 36.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.993 0.901 . . . . 0.0 110.597 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 47' ' ' ALA . 17.4 tppt? -146.83 -39.57 0.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.557 -175.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.03 144.12 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 0.0 109.924 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 m -109.9 101.65 10.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -85.16 95.49 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.73 -179.1 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.795 0.807 . . . . 0.0 111.729 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' HZ3' HD11 ' A' ' 39' ' ' LEU . 68.1 mmtt -142.78 115.11 8.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.209 -172.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.02 127.34 53.71 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.94 116.71 23.51 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.356 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.8 -17.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.06 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.14 -45.96 17.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.731 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.99 -38.51 52.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.897 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -109.98 107.32 58.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.299 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -95.06 -6.9 1.77 Allowed 'Trans proline' 0 C--N 1.327 -0.577 0 C-N-CA 121.185 1.256 . . . . 0.0 113.859 -169.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.79 -44.98 16.23 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.341 -0.943 . . . . 0.0 112.238 -170.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -80.8 -27.29 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.798 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -69.94 -30.47 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.393 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -80.18 -34.39 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.905 174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.72 -45.16 95.32 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.46 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.6 -31.21 18.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.437 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.6 68.96 1.36 Allowed Glycine 0 N--CA 1.46 0.278 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.259 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.84 105.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.8 mtt -91.53 -24.75 19.53 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.449 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -146.02 103.82 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.484 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.661 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -78.23 150.43 77.28 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.503 173.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.38 146.05 76.03 Favored 'Cis proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.173 -1.595 . . . . 0.0 110.823 1.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.6 m -125.45 124.26 41.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.102 0.953 . . . . 0.0 109.263 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.22 122.55 44.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mt -135.06 130.84 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.041 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' HG ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -92.88 130.89 38.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 93.1 m-85 -121.09 131.88 54.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -106.62 -68.38 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.068 -1.053 . . . . 0.0 110.353 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.13 50.15 0.81 Allowed Glycine 0 N--CA 1.462 0.392 0 C-N-CA 119.591 -1.29 . . . . 0.0 111.021 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.03 44.3 12.16 Favored Glycine 0 N--CA 1.461 0.367 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.671 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -165.38 126.16 1.34 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.415 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 55.2 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 C-N-CA 121.268 1.312 . . . . 0.0 110.839 -175.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.64 -51.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.605 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.76 161.85 37.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.993 0.901 . . . . 0.0 109.643 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -141.27 118.41 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.935 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD23 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -124.68 159.06 31.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 171.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.462 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.02 156.48 25.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.97 0.891 . . . . 0.0 110.781 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.19 -168.89 31.47 Favored Glycine 0 N--CA 1.462 0.385 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.609 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -81.48 132.75 35.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.305 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -132.53 114.03 14.37 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.42 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -57.79 171.47 1.5 Allowed 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 121.974 1.783 . . . . 0.0 113.384 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.91 -25.51 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.886 172.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.97 -36.94 85.18 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.549 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HB2' ' HB2' ' A' ' 91' ' ' GLN . 67.8 mm-40 -79.56 -39.99 30.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.11 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mm? -58.34 -56.75 18.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.455 174.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.795 -169.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.33 86.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.955 0.883 . . . . 0.0 111.192 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.655 HE21 HD23 ' A' ' 87' ' ' LEU . 4.9 tp60 -62.3 -47.24 85.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.077 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HA ' HG21 ' A' ' 103' ' ' VAL . 3.9 mm? -73.99 -28.86 61.67 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.612 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.13 68.38 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 120.847 -1.158 . . . . 0.0 111.969 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.66 -41.11 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.685 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 100' ' ' LEU . 33.7 m -84.67 -31.51 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.729 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.07 -29.81 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.944 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.919 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.645 0.735 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p -80.11 148.67 30.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.028 0.918 . . . . 0.0 110.701 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 tpt -91.02 162.77 14.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.1 m -130.69 113.15 13.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.94 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.49 170.75 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.262 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.68 159.49 43.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.6 p-10 -38.06 -43.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.509 -0.744 . . . . 0.0 112.194 -175.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.26 -30.52 71.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.342 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.84 -52.98 21.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.307 0.575 . . . . 0.0 112.42 175.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.771 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -77.88 -34.62 51.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.277 -0.969 . . . . 0.0 111.232 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.18 82.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 pt -72.47 -23.49 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.091 -0.643 . . . . 0.0 112.645 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -76.33 -13.71 60.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.28 -85.0 0.02 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.962 -173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.24 -58.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 118.799 -1.161 . . . . 0.0 112.046 -175.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HZ3' ' HB3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -97.77 172.89 4.43 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.697 -169.814 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -55.94 139.44 84.53 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 C-N-CA 121.763 1.642 . . . . 0.0 113.986 -177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -134.08 113.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 tp -87.4 114.84 24.37 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.345 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.3 t -97.32 130.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 118.784 -1.167 . . . . 0.0 108.665 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 117.56 34.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -94.34 118.85 32.22 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -150.8 173.11 14.6 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.795 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.56 153.69 48.71 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.305 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.808 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -86.7 1.79 50.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 72' ' ' ILE . 8.3 t -72.96 146.0 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.334 1.064 . . . . 0.0 111.914 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.56 -59.78 1.5 Allowed Glycine 0 CA--C 1.521 0.46 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.833 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.43 -6.66 16.5 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 119.672 1.736 . . . . 0.0 113.787 -172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 m -70.4 -24.32 62.92 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.091 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -63.75 -27.07 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.67 -44.97 94.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.738 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.542 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.8 ptm -85.01 4.75 32.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.49 -49.99 51.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 173.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 71.9 Cg_endo -77.0 -30.23 4.61 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 121.591 1.604 . . . . 0.0 113.934 -176.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.37 -33.8 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 118.687 -1.205 . . . . 0.0 110.734 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -63.11 -34.72 78.21 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.22 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.13 -30.27 67.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.203 173.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 19.0 t80 -72.79 -45.82 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.494 0.664 . . . . 0.0 112.371 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.66 69.62 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.273 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -80.91 -10.26 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.311 -0.956 . . . . 0.0 111.841 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.36 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.442 -0.786 . . . . 0.0 110.724 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 86.8 m-70 -85.13 -51.07 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.258 -177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 66.22 -84.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 168.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.8 35.29 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.935 0.874 . . . . 0.0 111.264 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 47' ' ' ALA . 15.7 tppt? -144.91 -44.26 0.23 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -170.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.73 166.26 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.588 1.185 . . . . 0.0 111.308 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -127.15 91.47 3.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 165.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -81.15 93.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.32 174.25 6.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.807 0.813 . . . . 0.0 111.3 -170.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -133.32 113.01 12.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.666 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -114.39 127.09 55.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -84.42 120.76 26.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.818 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.1 -23.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 119.512 -0.875 . . . . 0.0 112.203 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.25 -43.26 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.947 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.16 -36.79 29.76 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.784 -0.766 . . . . 0.0 112.18 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -113.75 102.21 54.58 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.402 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -97.07 -9.4 0.74 Allowed 'Trans proline' 0 C--N 1.326 -0.615 0 C-N-CA 120.99 1.127 . . . . 0.0 114.144 -169.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.35 -43.22 28.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.098 -1.041 . . . . 0.0 112.063 -172.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.6 t -77.41 -36.8 52.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.237 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 t -67.93 -30.18 69.44 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.5 t -79.62 -32.13 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.081 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -64.07 -43.27 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.205 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -81.68 -36.59 28.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.75 72.15 1.12 Allowed Glycine 0 N--CA 1.459 0.223 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.009 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.0 88.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 74.8 mtm -85.78 -11.84 52.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.608 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -148.4 87.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.815 -174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -70.37 147.62 95.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.865 171.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.78 146.5 81.76 Favored 'Cis proline' 0 C--N 1.324 -0.721 0 C-N-CA 123.409 -1.496 . . . . 0.0 111.74 3.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.5 m -138.96 126.04 21.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -109.96 140.85 43.5 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.592 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.5 mt -134.69 125.24 45.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.81 125.32 41.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.294 -0.963 . . . . 0.0 108.653 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -107.59 137.32 45.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -106.65 -67.29 0.95 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.524 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.47 55.38 0.55 Allowed Glycine 0 N--CA 1.462 0.401 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.65 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.98 39.76 45.36 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.826 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -163.93 132.02 2.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.4 119.1 5.12 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.307 1.338 . . . . 0.0 110.522 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.54 -46.51 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.43 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -148.24 117.09 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.026 0.917 . . . . 0.0 108.976 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.38 101.86 13.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.758 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.3 pt? -96.46 148.25 22.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.532 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.27 157.08 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.982 0.896 . . . . 0.0 110.645 -168.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.78 -165.89 38.81 Favored Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.582 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -78.19 120.35 22.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.193 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.542 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -117.47 108.85 42.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -58.04 172.66 1.16 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 121.866 1.711 . . . . 0.0 113.405 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.69 -38.84 70.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.211 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -64.06 -31.14 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.36 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.42 -42.92 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.562 173.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.612 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -54.35 -52.85 60.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.912 174.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.1 -40.85 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.453 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.25 76.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.882 0.848 . . . . 0.0 110.972 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.016 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 61.1 mt -90.22 -30.19 17.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -167.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.41 70.53 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.753 -1.217 . . . . 0.0 111.439 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.62 -44.09 91.64 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.352 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.62 -26.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD23 ' HG3' ' A' ' 49' ' ' LYS . 88.1 mt -76.74 -28.36 55.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.58 -173.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.708 -178.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 121.479 0.657 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p -141.12 154.95 46.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.978 0.894 . . . . 0.0 109.304 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ttt -97.42 161.34 13.83 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.797 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -135.37 121.14 19.63 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.106 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.13 175.5 5.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.531 1.158 . . . . 0.0 110.129 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.2 t -157.28 159.18 37.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' THR . 17.8 p-10 -36.46 -44.74 0.45 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.79 -48.75 11.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.458 -0.776 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -70.98 -29.98 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.12 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -48.81 -45.39 40.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.756 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.53 -32.24 70.14 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.332 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -49.78 36.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.323 0.582 . . . . 0.0 112.143 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 pt -74.25 -26.02 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.926 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -72.1 -7.94 51.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.85 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.461 0.343 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.108 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -147.89 -53.34 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.911 -1.116 . . . . 0.0 112.531 -173.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 16.0 ptpt -133.97 -177.63 0.73 Allowed Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.68 -169.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 22.2 Cg_exo -52.58 135.69 56.12 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.167 1.911 . . . . 0.0 116.075 -173.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.19 121.61 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -82.16 134.34 35.31 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.36 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.58 128.63 66.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.49 ' CB ' ' HZ1' ' A' ' 54' ' ' LYS . 1.1 m-20 -102.53 111.76 24.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -86.08 116.63 24.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -146.28 175.65 10.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.763 -169.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.17 153.32 43.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.35 69.14 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.97 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -82.64 1.33 38.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.66 132.67 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.316 1.055 . . . . 0.0 111.899 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -61.76 2.9 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.405 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -67.75 -15.54 44.48 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 CA-C-N 119.774 1.787 . . . . 0.0 114.227 -174.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 15.9 m -68.17 -14.58 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.702 174.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.94 -39.26 77.64 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.783 -0.573 . . . . 0.0 112.436 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.3 mtp -67.34 -41.89 84.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.572 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.425 ' HA ' HG21 ' A' ' 38' ' ' VAL . 56.0 mtp -74.76 -9.19 58.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.9 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.26 21.9 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.75 -28.26 8.14 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 CA-C-N 121.623 1.615 . . . . 0.0 113.906 -177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG21 ' HA ' ' A' ' 35' ' ' MET . 34.7 m -72.78 -32.63 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.723 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.85 -36.03 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.281 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.0 -45.28 89.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.678 175.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.22 -29.51 70.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.36 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 17.0 t80 -66.84 -43.0 84.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.57 0.7 . . . . 0.0 111.945 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -27.16 67.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.905 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -89.58 -10.36 46.33 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.842 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.59 -56.5 3.98 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.701 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . 80.9 m-70 -82.0 -44.62 16.43 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.11 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 73.32 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 168.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.84 -37.2 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.173 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' HD21 ' A' ' 104' ' ' LEU . 18.3 tppt? -65.05 -31.04 72.07 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.927 -0.709 . . . . 0.0 111.903 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 46' ' ' HIS . 9.8 p -115.3 151.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.742 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -123.75 104.49 9.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 t -84.54 95.92 4.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.33 -175.46 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.802 0.811 . . . . 0.0 110.624 -173.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' HZ1' ' CB ' ' A' ' 23' ' ' ASP . 70.4 mmtt -142.28 119.0 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.858 -173.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.75 122.59 40.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 171.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.75 126.45 32.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.887 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.94 -33.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.744 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.73 -35.58 79.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.965 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.33 -51.59 6.86 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.937 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -102.4 116.39 62.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.314 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -101.51 -11.46 0.19 Allowed 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 114.71 1.004 . . . . 0.0 114.71 -167.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.24 -40.31 21.79 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.142 -1.023 . . . . 0.0 112.995 -170.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -80.55 -35.02 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.633 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -67.76 -29.28 68.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 t -81.53 -32.92 32.08 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.489 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.77 -45.55 93.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.31 -38.15 51.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.914 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.66 71.07 1.03 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.176 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mm -93.18 104.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.9 mtt -94.0 -21.03 19.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -152.19 113.74 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.138 -174.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -86.14 149.06 49.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.022 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.494 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 97.3 Cg_endo -82.02 154.83 78.66 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 123.194 -1.586 . . . . 0.0 112.443 5.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.6 m -142.21 119.24 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.004 -175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 23' ' ' ASP . 3.1 mm? -99.46 131.43 45.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.115 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -139.7 129.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.27 139.55 31.42 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.96 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.86 137.72 52.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.784 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -92.71 -75.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.853 -1.139 . . . . 0.0 109.59 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.92 58.6 0.7 Allowed Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.739 -1.22 . . . . 0.0 110.847 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.43 41.07 6.23 Favored Glycine 0 N--CA 1.462 0.372 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.773 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.97 126.68 0.65 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.88 125.99 9.11 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.31 1.34 . . . . 0.0 110.783 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.99 -65.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.819 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -147.13 154.23 40.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.717 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -125.98 121.45 33.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.024 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 139.19 44.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.514 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.69 173.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.388 -165.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.95 -166.59 31.26 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -90.28 121.85 32.66 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.85 -1.14 . . . . 0.0 108.899 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.38 126.87 25.06 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 172.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.03 171.9 0.21 Allowed 'Trans proline' 0 CA--C 1.513 -0.537 0 C-N-CA 121.809 1.673 . . . . 0.0 113.152 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -54.92 -40.47 69.89 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.869 -0.733 . . . . 0.0 112.213 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -76.16 -37.23 58.19 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.58 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.89 -43.66 87.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.086 0.946 . . . . 0.0 110.522 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.476 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 39.6 tp -65.72 -47.82 74.03 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.668 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -61.4 -38.44 87.09 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.463 -0.895 . . . . 0.0 112.014 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 91.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.696 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -69.45 -37.49 77.37 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.738 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.8 -36.32 62.48 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.816 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.85 65.89 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.45 -0.9 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.27 -38.16 63.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.738 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.4 m -78.41 -25.18 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 121.434 -0.791 . . . . 0.0 112.941 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 49' ' ' LYS . 74.4 mt -77.88 -24.76 48.35 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.989 -172.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.756 178.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.764 0.793 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.0 p -86.34 162.24 18.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.275 1.036 . . . . 0.0 111.405 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -96.61 160.59 14.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.613 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -137.4 115.91 12.0 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.046 175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.46 175.91 5.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.811 1.291 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 t -157.82 152.98 25.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -33.35 -47.28 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -168.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.88 -47.61 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.255 -0.903 . . . . 0.0 112.465 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -71.02 -27.89 64.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.105 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -52.5 -50.87 61.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.202 0.525 . . . . 0.0 112.036 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -68.06 -39.7 82.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.003 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -63.96 -33.65 76.2 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.532 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.61 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.817 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.72 -26.2 21.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.535 -172.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -71.86 -18.47 62.06 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.862 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -90.62 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 C-N-CA 119.461 -1.352 . . . . 0.0 112.001 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.51 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.154 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.48 131.89 95.22 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.895 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.66 133.21 43.74 Favored 'Trans proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.929 1.753 . . . . 0.0 113.304 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.16 121.02 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -83.05 121.57 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.638 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -95.77 135.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.533 174.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' CB ' ' HZ1' ' A' ' 54' ' ' LYS . 1.7 m-20 -113.62 108.11 16.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -85.82 127.09 34.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -154.66 176.3 12.59 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.186 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.24 153.77 43.14 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.103 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.7 -24.21 59.9 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.832 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -89.9 -4.2 57.66 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.126 -0.63 . . . . 0.0 112.501 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.93 142.92 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.51 1.148 . . . . 0.0 112.16 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.52 -60.16 1.84 Allowed Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.709 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 41.9 Cg_endo -65.38 -16.33 53.85 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 119.932 1.866 . . . . 0.0 113.952 -177.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 4.7 m -74.13 -18.72 60.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.221 -0.924 . . . . 0.0 111.734 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HD3' HH11 ' A' ' 33' ' ' ARG . 38.7 mtp180 -60.51 -31.54 70.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.9 mtp -79.38 -30.16 42.39 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.695 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.3 mtp -74.38 -8.54 56.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.61 -0.836 . . . . 0.0 113.032 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -55.89 28.95 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.73 -21.2 21.96 Favored 'Trans proline' 0 C--N 1.328 -0.508 0 CA-C-N 121.619 1.614 . . . . 0.0 114.51 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.37 -33.87 11.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.709 -1.245 . . . . 0.0 111.151 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.61 -38.72 70.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.64 -38.63 91.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.474 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.78 -26.49 66.12 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.509 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.2 t80 -72.14 -41.99 66.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.622 0.725 . . . . 0.0 112.058 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.98 -26.65 66.03 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.801 -0.759 . . . . 0.0 111.584 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -84.29 -15.22 47.46 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.259 -0.977 . . . . 0.0 111.751 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.92 -56.77 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.581 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.99 -39.82 17.61 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.541 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.56 -98.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 167.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -88.55 20.05 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.086 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -110.45 -43.77 3.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.8 p -107.25 128.66 62.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.545 0.688 . . . . 0.0 109.269 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -92.75 100.93 13.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.2 92.59 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.13 178.61 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 0.0 110.381 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HZ1' ' CB ' ' A' ' 23' ' ' ASP . 66.0 mmtt -141.7 117.04 10.14 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.799 -170.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -117.38 120.48 38.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -83.03 118.42 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.606 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.44 -24.02 27.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.228 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -73.48 -38.57 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.758 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.57 -52.67 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.258 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.25 124.83 52.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.482 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -101.85 -21.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.328 -0.538 0 N-CA-C 114.539 0.938 . . . . 0.0 114.539 -167.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -83.26 -36.96 24.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.895 -1.122 . . . . 0.0 113.311 -168.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -73.95 -29.54 62.06 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.914 -173.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HA ' HG12 ' A' ' 69' ' ' ILE . 9.8 t -70.07 -33.54 72.05 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.344 -0.943 . . . . 0.0 111.978 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -82.06 -28.54 32.36 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.935 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.22 -46.21 71.18 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.506 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -83.88 -30.15 26.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.263 -0.975 . . . . 0.0 112.88 -174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.69 76.03 1.2 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -168.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 64' ' ' THR . 37.8 mm -69.22 120.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 71' ' ' SER . 94.5 mtp -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.049 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 70' ' ' MET . 37.1 t 174.5 128.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.41 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.0 pp -64.53 140.08 97.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 118.365 -1.334 . . . . 0.0 108.485 174.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 90.1 Cg_endo -79.27 131.53 23.02 Favored 'Cis proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.549 -1.438 . . . . 0.0 111.685 5.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -122.49 118.57 28.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.69 124.42 51.19 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.453 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.51 HD11 HE21 ' A' ' 86' ' ' GLN . 69.8 mt -138.2 128.45 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.014 -173.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tt -92.99 137.35 32.44 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.278 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -118.2 144.76 45.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.787 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -118.93 -63.44 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.604 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.36 52.63 0.8 Allowed Glycine 0 N--CA 1.463 0.452 0 C-N-CA 119.488 -1.339 . . . . 0.0 110.93 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.03 45.97 18.25 Favored Glycine 0 N--CA 1.462 0.374 0 C-N-CA 119.735 -1.221 . . . . 0.0 111.088 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -166.08 120.96 0.91 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 -173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.93 114.07 3.45 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.256 1.304 . . . . 0.0 110.337 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.5 t -68.04 -52.2 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.914 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.59 156.59 45.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.113 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.51 HE21 HD11 ' A' ' 76' ' ' ILE . 51.0 tt0 -138.35 112.65 8.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.112 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD11 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -140.41 155.55 46.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.005 0.907 . . . . 0.0 109.374 169.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.421 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -143.4 -175.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.443 -165.321 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.58 -171.32 55.15 Favored Glycine 0 N--CA 1.462 0.428 0 C-N-CA 119.945 -1.121 . . . . 0.0 111.284 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -80.35 127.46 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.216 -1.393 . . . . 0.0 108.48 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.732 HE22 HD11 ' A' ' 87' ' ' LEU . 10.1 pt20 -137.55 124.57 13.7 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 89.6 Cg_exo -55.9 173.97 0.35 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 121.429 1.419 . . . . 0.0 113.544 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.73 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.337 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.69 -33.9 77.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.366 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -70.11 -38.66 75.68 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.867 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.54 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.3 mt -67.27 -46.22 74.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.09 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.005 -171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.31 74.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.982 0.896 . . . . 0.0 110.951 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG2' HD21 ' A' ' 87' ' ' LEU . 6.8 tp-100 -59.87 -51.28 70.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 78.3 mt -82.0 -27.71 32.99 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.848 -167.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -28.03 69.74 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.921 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -75.5 -36.68 60.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.985 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 100' ' ' LEU . 11.2 m -76.96 -25.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.531 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.92 -26.49 60.54 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.026 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 171.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.7 p -83.02 149.12 27.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.391 1.091 . . . . 0.0 110.895 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.5 tpt -97.32 166.35 11.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.322 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.3 m -132.74 118.09 18.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.963 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.35 169.76 8.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.77 1.271 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -159.54 154.47 24.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.82 -43.17 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -169.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.65 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.377 -0.827 . . . . 0.0 112.197 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -74.11 -28.81 61.53 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.356 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -49.58 -50.04 44.05 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.35 -42.31 83.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.376 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.1 -32.12 73.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.425 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.7 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.511 0.672 . . . . 0.0 111.667 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 pt -82.13 -19.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.168 -0.613 . . . . 0.0 112.238 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -74.88 -15.6 60.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.52 -86.37 0.03 OUTLIER Glycine 0 N--CA 1.463 0.437 0 C-N-CA 119.653 -1.261 . . . . 0.0 112.254 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -169.52 -50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.637 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.616 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 4.9 ttmp? -79.62 141.84 56.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.193 -169.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -38.54 124.78 0.87 Allowed 'Trans proline' 0 C--N 1.326 -0.606 0 C-N-CA 122.529 2.152 . . . . 0.0 115.583 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.41 124.45 67.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 100' ' ' LEU . 45.9 tp -84.63 135.49 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.549 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.27 130.21 67.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' CB ' ' HZ2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -104.74 111.42 24.13 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -87.93 118.42 27.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -149.55 174.46 12.5 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.071 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.4 151.21 43.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.896 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.5 67.95 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.497 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.8 p-90 -82.46 8.89 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.742 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.7 t -78.07 144.92 36.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.554 1.168 . . . . 0.0 112.646 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.1 -56.49 2.05 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.911 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 80.2 Cg_endo -78.04 -7.07 16.21 Favored 'Trans proline' 0 C--N 1.327 -0.567 0 CA-C-N 119.933 1.867 . . . . 0.0 113.911 -173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.66 -14.47 60.36 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.368 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 33' ' ' ARG . 75.4 mtt-85 -63.22 -29.78 71.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.836 -0.54 . . . . 0.0 111.75 174.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.7 mtt -63.54 -46.61 85.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.246 -0.582 . . . . 0.0 111.155 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.533 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 5.2 ptp -85.35 -3.96 59.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.87 -51.3 47.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.488 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 61.3 Cg_endo -73.16 -25.95 15.37 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 CA-C-N 120.876 1.349 . . . . 0.0 114.134 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.07 -39.25 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 120.179 -1.576 . . . . 0.0 110.778 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 ' SD ' ' A' ' 35' ' ' MET . 73.3 mt -71.27 -35.68 71.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.11 -34.81 73.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.826 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.02 -29.68 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.722 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.3 t80 -74.47 -40.05 62.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.438 0.637 . . . . 0.0 112.543 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.21 -32.56 72.86 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.522 -0.871 . . . . 0.0 111.183 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -94.53 6.51 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.531 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 -54.35 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.991 0.9 . . . . 0.0 109.217 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 72.7 m-70 -92.83 -52.46 4.6 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 70.93 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.391 171.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -84.95 44.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.201 1.0 . . . . 0.0 109.965 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -152.22 -51.65 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.4 m -92.6 152.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.408 1.099 . . . . 0.0 111.282 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -112.98 91.5 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 161.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.67 93.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.06 178.53 4.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.926 0.87 . . . . 0.0 110.897 -170.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HZ2' ' CB ' ' A' ' 23' ' ' ASP . 67.8 mmtt -137.29 105.93 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.594 -174.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -108.96 115.56 30.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -81.69 127.75 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.873 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.42 -17.82 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.981 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.4 -39.57 53.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.999 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -86.73 -53.28 5.03 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.658 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -92.28 127.48 48.78 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.301 -170.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -98.6 -27.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.079 1.186 . . . . 0.0 114.026 -168.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.73 -44.58 20.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.632 -168.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 t -77.97 -31.97 51.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.075 -1.05 . . . . 0.0 111.453 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -68.08 -37.82 81.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.867 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 t -81.5 -31.16 32.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.718 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.61 -41.32 97.29 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.776 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.44 -30.46 25.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.587 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 68.71 1.17 Allowed Glycine 0 N--CA 1.459 0.221 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.287 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.7 mm -100.37 93.03 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.165 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 62.2 mtt -123.69 39.27 4.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.508 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -161.65 70.75 0.35 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.776 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.742 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pp -74.38 144.25 80.91 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.595 176.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.533 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 95.2 Cg_endo -83.88 141.14 37.72 Favored 'Cis proline' 0 C--N 1.322 -0.82 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.342 7.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 m -123.89 117.04 23.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.838 0.828 . . . . 0.0 109.377 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -99.74 124.96 45.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.93 124.97 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -94.34 134.85 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.232 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 78.2 m-85 -110.48 158.11 18.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.575 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -138.08 -66.02 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.13 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.08 63.52 0.44 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.65 -1.262 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 37.44 93.82 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 119.638 -1.267 . . . . 0.0 111.664 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.466 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -164.14 123.02 1.26 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -171.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 59.2 Cg_endo -70.7 119.92 6.69 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.42 1.413 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.1 -46.67 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.011 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.36 149.29 37.52 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.601 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -135.96 122.35 20.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.644 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' HG ' ' NE2' ' A' ' 91' ' ' GLN . 1.8 pt? -134.88 150.4 50.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.52 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.63 164.82 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.975 0.893 . . . . 0.0 110.998 -165.381 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.91 -179.15 50.18 Favored Glycine 0 N--CA 1.461 0.36 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.38 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.56 139.52 58.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.306 1.05 . . . . 0.0 109.936 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HG2' ' CE ' ' A' ' 35' ' ' MET . 8.9 pt20 -145.27 116.34 5.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.25 169.09 1.67 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.359 1.373 . . . . 0.0 113.957 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -54.63 -39.52 68.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.094 176.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.83 -28.58 69.09 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.146 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -71.74 -42.58 67.1 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.26 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -56.62 -50.51 71.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 119.696 -0.801 . . . . 0.0 110.996 174.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.77 -43.76 79.05 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.497 -0.881 . . . . 0.0 112.244 -169.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.24 82.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.002 0.906 . . . . 0.0 111.087 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -61.58 -46.37 90.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.382 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 HD11 HD11 ' A' ' 21' ' ' LEU . 3.1 mm? -79.26 -39.41 33.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.585 -0.846 . . . . 0.0 113.203 -173.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.75 69.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.857 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.98 -46.12 92.02 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.803 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.7 -26.0 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 63.5 mt -73.81 -16.06 61.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.15 -177.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.536 0.684 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 p -118.8 145.58 45.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.937 0.875 . . . . 0.0 109.785 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ttt -107.72 162.67 13.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.2 m -131.76 117.87 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.095 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.25 169.35 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.909 1.338 . . . . 0.0 110.851 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -149.56 160.88 43.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.765 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -33.65 -48.83 0.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.19 -52.51 6.2 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.078 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -67.43 -29.02 68.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.374 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.59 -51.08 51.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.992 0.425 . . . . 0.0 112.13 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 68.1 mt-30 -61.32 -49.99 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.629 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.33 -37.92 85.03 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.538 -0.865 . . . . 0.0 112.038 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.23 74.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.311 0.576 . . . . 0.0 112.436 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 pt -75.39 -34.03 29.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.611 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 91.5 mm-40 -68.38 -12.41 61.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.4 -88.52 0.03 OUTLIER Glycine 0 CA--C 1.52 0.399 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.034 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -165.98 -53.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.757 -1.177 . . . . 0.0 112.985 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -75.86 168.04 31.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.524 -167.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -60.76 134.47 54.1 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 121.823 1.682 . . . . 0.0 112.997 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -141.02 113.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -81.74 105.13 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.082 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.86 122.09 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 54' ' ' LYS . 1.2 m-20 -99.91 109.29 21.67 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -84.76 126.67 33.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -162.78 176.19 10.52 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.444 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.6 151.53 49.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 169.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.56 -25.35 64.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.287 -0.965 . . . . 0.0 112.231 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -87.79 -5.18 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.527 -0.733 . . . . 0.0 112.918 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.3 t -54.71 140.24 36.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.456 1.122 . . . . 0.0 112.962 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.5 -61.91 2.02 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.988 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.35 -16.28 35.06 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 CA-C-N 119.988 1.894 . . . . 0.0 113.469 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 5.9 m -69.11 -19.71 64.05 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.394 -0.922 . . . . 0.0 111.128 173.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.85 -34.72 76.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.225 0.536 . . . . 0.0 111.681 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.6 mtp -63.42 -53.16 56.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.125 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ptm -84.65 2.62 40.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.39 -53.19 47.72 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 121.111 -0.993 . . . . 0.0 112.415 174.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 84.4 Cg_endo -73.85 -17.02 23.04 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.102 1.429 . . . . 0.0 114.174 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 m -78.27 -36.31 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 120.587 -1.321 . . . . 0.0 110.226 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -39.03 84.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.793 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.4 -45.82 85.98 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.787 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.77 -29.53 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.399 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.8 t80 -66.99 -46.15 75.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.536 0.684 . . . . 0.0 112.176 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.35 71.34 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.872 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.05 -17.57 46.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.801 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.29 -57.35 4.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.644 0.735 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -83.98 -49.6 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 71.38 -83.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 167.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -83.3 34.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.781 0.801 . . . . 0.0 111.465 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' ALA . 17.0 tppt? -143.49 -48.26 0.3 Allowed 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.825 -172.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -102.83 135.73 38.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.778 0.799 . . . . 0.0 110.47 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -102.69 103.06 13.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.79 89.86 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.01 174.29 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.021 0.915 . . . . 0.0 110.998 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 23' ' ' ASP . 70.6 mmtt -140.24 107.01 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.491 -0.884 . . . . 0.0 109.892 -170.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.31 124.92 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -81.13 123.75 28.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.742 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 p -72.95 -19.29 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.207 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -79.52 -45.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.348 -0.845 . . . . 0.0 110.9 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.69 -48.78 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.739 -174.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -96.35 120.9 61.6 Favored Pre-proline 0 C--N 1.324 -0.541 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.956 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -102.32 -14.54 0.12 Allowed 'Trans proline' 0 C--N 1.329 -0.488 0 C-N-CA 120.684 0.923 . . . . 0.0 114.286 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -81.05 -33.65 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.131 -1.028 . . . . 0.0 112.78 -170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.6 t -82.31 -33.34 29.06 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.627 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -66.75 -26.37 66.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.712 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -78.74 -31.57 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.372 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -65.94 -40.86 91.74 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.864 -0.735 . . . . 0.0 111.832 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -94.25 -38.06 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.67 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.22 77.52 1.37 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 -173.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -96.04 111.4 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 75.4 mtm -92.85 -23.51 18.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.122 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 t -155.02 137.75 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.665 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 pp -95.49 151.81 38.83 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.639 169.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 71.6 Cg_endo -83.89 146.62 52.55 Favored 'Cis proline' 0 C--N 1.324 -0.736 0 C-N-CA 122.936 -1.693 . . . . 0.0 111.721 4.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 mt -105.67 133.24 50.74 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.771 -1.171 . . . . 0.0 109.684 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.1 mt -138.86 131.0 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -98.82 130.15 45.24 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.208 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -117.09 144.08 45.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -101.56 -84.0 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.143 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.89 49.31 0.86 Allowed Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.462 -1.351 . . . . 0.0 112.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.04 33.49 7.73 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.416 -1.373 . . . . 0.0 112.981 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HD3' HH11 ' A' ' 82' ' ' ARG . 0.0 OUTLIER -155.49 126.76 3.63 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.76 116.32 4.68 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.212 1.275 . . . . 0.0 110.313 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.83 -58.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.537 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -146.84 153.88 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.426 1.108 . . . . 0.0 110.049 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -127.68 131.54 49.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.215 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.27 148.76 43.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.27 160.86 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.857 -169.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.79 -157.81 30.14 Favored Glycine 0 N--CA 1.46 0.273 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.543 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -90.74 125.44 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.746 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.94 118.49 19.58 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -46.82 163.19 0.13 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 122.431 2.088 . . . . 0.0 115.674 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -51.8 -43.59 63.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.027 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.56 -30.77 71.55 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.145 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -74.2 -33.44 63.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.084 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -60.18 -47.58 85.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.039 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.29 -41.29 89.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.818 -170.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.17 -53.24 40.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.177 0.989 . . . . 0.0 110.599 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -50.27 -44.74 53.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.531 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 83.6 mt -88.08 -21.97 24.42 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -169.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.25 77.61 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 120.722 -1.236 . . . . 0.0 112.089 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -42.0 86.78 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.456 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 100' ' ' LEU . 34.2 m -80.89 -29.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.408 HD21 ' HG3' ' A' ' 49' ' ' LYS . 65.3 mt -74.73 -39.65 61.74 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.686 -0.806 . . . . 0.0 112.61 -172.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.716 -176.224 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.704 0.764 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 p -101.13 154.44 18.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.304 1.049 . . . . 0.0 110.468 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -77.99 161.12 27.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.811 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.2 m -135.39 119.9 18.08 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.333 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.76 170.42 7.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.859 1.314 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.31 158.39 42.69 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.3 p-10 -31.54 -49.91 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -170.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.48 -54.26 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.215 -0.928 . . . . 0.0 112.314 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.98 -27.02 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.452 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -51.59 -48.7 63.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 23.4 mm100 -63.84 -54.59 32.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.107 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -54.73 -34.21 62.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.493 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.73 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.189 -0.605 . . . . 0.0 112.401 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.0 -24.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.929 -0.708 . . . . 0.0 112.702 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 68.4 mt-30 -72.42 -10.21 59.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -84.31 0.02 OUTLIER Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.961 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -157.03 -71.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.991 -1.083 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.694 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -95.42 -178.24 0.76 Allowed Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.886 -169.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 36.3 Cg_exo -56.94 140.26 91.7 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 121.72 1.613 . . . . 0.0 114.912 -171.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.06 119.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.6 134.91 33.91 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.692 -1.203 . . . . 0.0 110.173 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.1 t -107.88 131.87 57.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' HD3' ' A' ' 54' ' ' LYS . 1.8 m-20 -101.24 109.62 21.51 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -87.66 119.15 27.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -145.77 173.83 11.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 109.049 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.02 153.5 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.154 172.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.76 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.726 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 36.7 p-90 -84.82 -9.87 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.763 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.13 139.5 58.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.362 1.077 . . . . 0.0 111.75 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.59 -60.97 2.24 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.07 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.97 -8.98 23.09 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 CA-C-N 119.625 1.712 . . . . 0.0 113.909 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -73.93 -15.97 61.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.725 176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.03 -37.61 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.728 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.2 mtt -66.42 -32.41 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.419 -0.912 . . . . 0.0 111.647 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.482 ' HA ' HG23 ' A' ' 38' ' ' VAL . 43.5 mtp -75.66 -13.98 60.34 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.041 -1.063 . . . . 0.0 113.124 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.16 -54.01 46.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 70.7 Cg_endo -72.92 -37.5 3.59 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 121.478 1.564 . . . . 0.0 113.48 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 35' ' ' MET . 34.1 m -67.81 -33.05 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.505 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.95 -34.05 64.13 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.713 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.16 -38.27 85.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.155 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.15 -26.38 64.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.686 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.1 t80 -72.18 -43.5 64.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.713 0.768 . . . . 0.0 111.313 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.09 66.52 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.456 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.12 -23.94 28.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.537 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -58.25 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.531 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 84.3 m-70 -84.93 -53.61 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.986 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 66.16 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 170.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.6 38.76 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.9 0.857 . . . . 0.0 110.893 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 17.9 tppt? -149.96 -47.81 0.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.376 0.608 . . . . 0.0 109.415 -172.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 46' ' ' HIS . 9.6 p -105.73 143.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 110.444 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -102.51 107.97 19.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.77 95.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 179.26 4.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -171.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 23' ' ' ASP . 71.5 mmtt -138.82 111.46 7.65 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.94 -172.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.96 121.5 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -82.9 124.4 30.31 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.702 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.5 m -68.07 -22.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.378 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 15.8 t70 -83.21 -46.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.825 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.36 -38.96 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.52 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -116.46 103.13 53.12 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -95.66 -7.92 1.39 Allowed 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.163 1.242 . . . . 0.0 113.527 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.13 -37.66 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.741 -171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -77.47 -36.71 52.57 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.229 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -67.11 -27.91 67.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.89 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -79.85 -31.19 40.49 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.4 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.39 -53.32 44.99 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.171 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.32 -32.34 64.53 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.643 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.26 71.58 1.24 Allowed Glycine 0 N--CA 1.459 0.204 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.489 HG23 ' HG1' ' A' ' 74' ' ' THR . 41.3 mm -82.67 115.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.8 mtt -79.06 -40.32 31.57 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.569 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.0 t -159.51 118.48 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.703 -1.199 . . . . 0.0 110.974 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.68 149.44 90.6 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.626 172.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.49 144.23 76.7 Favored 'Cis proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.325 -1.531 . . . . 0.0 111.283 2.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.489 ' HG1' HG23 ' A' ' 69' ' ' ILE . 14.8 m -128.58 121.87 29.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.843 0.83 . . . . 0.0 109.0 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -105.5 115.98 31.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.93 125.32 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.056 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.4 123.65 36.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.61 142.47 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.3 -68.47 0.85 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.945 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 55.45 0.69 Allowed Glycine 0 N--CA 1.461 0.366 0 C-N-CA 119.69 -1.243 . . . . 0.0 110.507 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.19 38.12 47.45 Favored Glycine 0 N--CA 1.462 0.406 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.826 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 124.59 2.57 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 -174.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.26 120.3 6.9 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.544 1.496 . . . . 0.0 111.067 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.66 -51.66 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.785 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -140.97 155.51 46.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.234 1.016 . . . . 0.0 109.418 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -136.9 113.95 10.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.629 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD23 HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -132.79 130.52 39.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.559 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -127.87 -177.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.312 1.053 . . . . 0.0 111.845 -165.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -172.09 40.98 Favored Glycine 0 N--CA 1.46 0.293 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -82.95 121.93 27.63 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.462 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.533 HE21 HD23 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -125.58 116.86 24.81 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.063 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -54.77 170.04 0.7 Allowed 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 122.023 1.816 . . . . 0.0 113.768 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 36.2 ttpt -58.82 -31.66 68.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.188 172.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.93 -40.44 79.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.327 -0.858 . . . . 0.0 111.738 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -70.68 -40.89 72.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.828 0.823 . . . . 0.0 110.788 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.9 mt -60.82 -43.52 98.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.56 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 46' ' ' HIS . 42.2 mt-10 -67.31 -38.9 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.115 -1.034 . . . . 0.0 112.121 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.47 68.99 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.615 -0.834 . . . . 0.0 111.255 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.69 -40.88 84.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.434 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 82.6 mt -89.43 -25.32 21.58 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -168.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.21 73.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.843 -1.161 . . . . 0.0 111.563 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -40.17 86.05 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.105 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.4 m -85.33 -26.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.23 -30.69 65.14 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.907 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.157 179.234 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 121.754 0.788 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p -130.07 144.46 51.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.042 0.925 . . . . 0.0 110.377 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.86 161.07 16.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.069 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -133.28 117.8 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.598 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.2 169.83 8.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.877 1.323 . . . . 0.0 111.074 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.8 t -147.75 156.77 43.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.696 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' H ' ' CG ' ' A' ' 60' ' ' ASN . 9.4 p-10 -31.67 -49.75 0.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.46 -46.72 9.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.313 -0.867 . . . . 0.0 112.827 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.37 -30.83 71.69 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.937 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -50.06 -48.54 52.93 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.192 0.52 . . . . 0.0 112.341 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.16 -36.63 83.6 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.732 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -78.69 -29.06 45.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.955 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.5 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.418 0.628 . . . . 0.0 112.219 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.28 -22.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.079 -0.649 . . . . 0.0 112.42 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -79.45 -25.09 42.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.435 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.55 -82.04 0.43 Allowed Glycine 0 N--CA 1.46 0.264 0 C-N-CA 119.754 -1.212 . . . . 0.0 113.934 -170.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.26 -164.99 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.371 1.081 . . . . 0.0 112.591 -167.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.47 -175.75 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.109 -177.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' LYS . 6.0 Cg_exo -39.84 123.17 1.17 Allowed 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 122.102 1.868 . . . . 0.0 115.87 -176.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.55 117.03 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -87.74 109.61 19.84 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.168 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 131.8 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.009 -1.076 . . . . 0.0 108.919 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' HB2' ' HG2' ' A' ' 54' ' ' LYS . 3.5 m-20 -111.09 113.19 25.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.41 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 79.2 m-85 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -149.88 177.71 9.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.29 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.52 45.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.191 -1.003 . . . . 0.0 109.021 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.03 63.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.746 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.464 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 42.6 p-90 -81.34 -8.64 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.527 -0.869 . . . . 0.0 112.408 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.537 ' SG ' HD12 ' A' ' 72' ' ' ILE . 11.5 t -67.46 141.84 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.217 1.008 . . . . 0.0 111.753 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.85 -58.95 1.55 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.033 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 72.1 Cg_endo -74.82 -4.13 14.94 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 CA-C-N 119.889 1.844 . . . . 0.0 113.752 -174.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -26.82 62.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.979 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.1 -20.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.119 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.85 -51.09 71.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.828 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' HD21 ' A' ' 75' ' ' LEU . 7.5 ptm -87.93 1.72 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.44 -0.904 . . . . 0.0 113.248 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.02 -53.51 51.02 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 174.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 95.6 Cg_endo -74.42 -25.74 12.84 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 121.535 1.584 . . . . 0.0 113.151 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 93' ' ' LYS . 2.8 p -75.3 -30.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.499 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.81 -30.38 66.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.48 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.76 -32.89 71.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.957 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' CD ' ' HZ1' ' A' ' 93' ' ' LYS . 51.0 mt-10 -67.68 -30.07 69.51 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.591 169.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.487 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 8.2 t80 -70.49 -43.3 70.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.609 0.719 . . . . 0.0 111.834 -176.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -19.49 64.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.732 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -30.86 55.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.393 174.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.13 -52.32 7.92 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.002 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' HB2' HG21 ' A' ' 50' ' ' VAL . 97.5 m-70 -82.79 -52.46 6.73 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.543 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 -85.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -84.77 24.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.729 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HG3' HD21 ' A' ' 104' ' ' LEU . 14.1 tppt? -133.07 -38.31 0.97 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.237 -171.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 46' ' ' HIS . 9.9 m -103.3 146.95 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.359 1.076 . . . . 0.0 110.558 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.9 m -108.55 93.75 4.69 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 163.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.18 90.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.09 171.8 7.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.231 -170.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 90.8 mttt -146.72 115.35 6.78 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.065 -1.054 . . . . 0.0 110.642 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.66 128.13 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.43 115.69 21.56 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.906 -1.117 . . . . 0.0 108.554 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.84 -23.7 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.574 -0.851 . . . . 0.0 112.01 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 31.1 t70 -75.14 -48.31 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.854 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -68.69 -42.39 77.87 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 65.2 m-80 -112.56 105.16 56.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.945 -172.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.2 -16.32 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.03 1.154 . . . . 0.0 113.558 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.59 -28.75 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.046 -1.062 . . . . 0.0 111.928 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -72.62 -44.76 61.52 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.175 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -64.89 -29.64 70.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.427 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -83.11 -27.97 29.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.684 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.32 -48.63 79.0 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.951 -0.699 . . . . 0.0 110.999 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.11 -36.85 24.5 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.885 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 81.94 1.56 Allowed Glycine 0 N--CA 1.459 0.191 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -92.49 96.41 6.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.2 mtt -83.21 -25.02 32.12 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.396 -0.922 . . . . 0.0 112.312 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -149.15 112.25 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.069 -176.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.537 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -81.26 147.97 62.04 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.307 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -86.5 132.71 14.56 Favored 'Cis proline' 0 C--N 1.325 -0.71 0 C-N-CA 123.213 -1.578 . . . . 0.0 110.804 2.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 3.6 m -103.05 126.44 50.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.634 0.731 . . . . 0.0 109.14 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD21 ' SD ' ' A' ' 35' ' ' MET . 3.3 mm? -105.6 125.78 51.38 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.28 130.09 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.03 123.04 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.265 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -108.49 137.96 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -106.18 -71.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.141 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 56.53 0.56 Allowed Glycine 0 N--CA 1.462 0.403 0 C-N-CA 119.568 -1.301 . . . . 0.0 110.657 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 43.36 23.2 Favored Glycine 0 N--CA 1.462 0.384 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.509 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -169.52 124.1 0.7 Allowed Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -173.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.78 121.69 7.21 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 121.27 1.314 . . . . 0.0 110.167 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 m -77.69 -46.18 27.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.118 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.727 ' HD2' HE22 ' A' ' 99' ' ' GLN . 97.5 mttt -144.58 165.39 28.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.397 1.094 . . . . 0.0 110.021 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -140.32 111.65 7.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.515 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.596 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -124.16 154.93 39.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.019 0.914 . . . . 0.0 108.552 170.261 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.587 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.85 165.96 30.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.138 0.97 . . . . 0.0 111.268 -166.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.29 177.53 51.87 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 119.997 -1.097 . . . . 0.0 111.893 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.28 129.33 39.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.459 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.596 HE22 HD13 ' A' ' 87' ' ' LEU . 6.3 pt20 -136.42 127.8 16.88 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 96.5 Cg_exo -56.44 166.36 3.57 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 121.591 1.527 . . . . 0.0 113.418 -177.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HZ1' ' CD ' ' A' ' 41' ' ' GLU . 31.7 ttpt -57.95 -33.04 68.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.936 175.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.39 -36.55 84.31 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.828 -0.749 . . . . 0.0 112.002 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -70.95 -40.86 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.2 mt -64.33 -43.49 94.48 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.833 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.47 -41.29 72.95 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.64 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.3 85.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.111 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.727 HE22 ' HD2' ' A' ' 85' ' ' LYS . 30.6 tp60 -58.46 -53.14 61.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.461 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.487 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 70.0 mt -81.17 -27.79 35.27 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.573 -168.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.72 72.2 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 120.827 -1.171 . . . . 0.0 111.885 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.03 -43.96 97.73 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.817 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.22 -23.42 7.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 ' HG3' ' A' ' 49' ' ' LYS . 67.2 mt -78.78 -26.89 44.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -170.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 119.184 -1.006 . . . . 0.0 111.409 -174.013 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.598 0.713 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p -132.76 155.46 48.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.327 1.061 . . . . 0.0 110.44 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -90.98 161.95 14.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.216 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -131.33 117.86 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.593 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.76 174.56 5.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.783 1.278 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.8 t -159.62 166.39 30.78 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.5 p-10 -36.92 -48.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -170.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.2 -49.23 9.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.491 -0.756 . . . . 0.0 112.521 -175.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.4 -30.85 68.91 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.272 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.22 -47.96 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt-30 -61.94 -46.53 88.92 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.177 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.6 -29.24 65.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.426 -0.909 . . . . 0.0 112.34 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.75 90.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.419 0.628 . . . . 0.0 112.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 pt -78.63 -21.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 63.8 mt-30 -75.92 -11.28 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.22 -86.62 0.03 OUTLIER Glycine 0 N--CA 1.464 0.507 0 C-N-CA 119.601 -1.285 . . . . 0.0 112.938 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -165.03 -63.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.209 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -66.22 160.38 65.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.671 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.63 131.53 46.23 Favored 'Trans proline' 0 C--N 1.325 -0.66 0 C-N-CA 121.635 1.556 . . . . 0.0 112.734 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.0 t -124.67 111.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.31 108.13 17.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.929 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -82.38 138.72 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.65 175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -111.56 107.16 16.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -83.87 122.71 29.07 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -151.57 176.06 11.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.875 -170.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.58 157.47 46.09 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.012 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.53 -29.53 63.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.539 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.1 p-90 -81.58 -3.62 53.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.503 173.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.75 140.87 55.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.318 1.056 . . . . 0.0 111.682 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.19 -60.58 1.82 Allowed Glycine 0 CA--C 1.521 0.42 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.677 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.41 -11.35 24.58 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 CA-C-N 119.698 1.749 . . . . 0.0 113.88 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.6 m -70.75 -27.25 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.074 -1.05 . . . . 0.0 110.786 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.25 -23.83 63.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.157 -0.617 . . . . 0.0 112.466 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.57 -45.1 95.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.847 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -80.89 -1.8 44.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -59.02 7.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 120.995 -1.066 . . . . 0.0 112.966 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.55 -20.75 26.66 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-N 121.489 1.567 . . . . 0.0 113.045 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.22 -46.61 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.145 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.35 -37.57 87.96 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.235 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.49 -42.05 98.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.149 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.93 -28.74 64.72 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.48 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.4 t80 -71.42 -43.56 66.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 111.546 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.2 66.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.007 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.17 -15.74 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.425 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.53 -57.02 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.43 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 81.1 m-70 -81.92 -51.03 8.49 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.232 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 49' ' ' LYS . . . 71.54 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 168.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.95 30.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.209 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 47' ' ' ALA . 42.7 tptt -137.57 -44.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 -172.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 m -105.91 145.85 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 122.381 1.086 . . . . 0.0 111.225 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -113.06 91.8 3.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 162.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.25 97.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.03 -177.6 3.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.998 0.904 . . . . 0.0 111.53 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -138.47 119.97 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.23 -173.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.89 124.53 43.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 173.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.78 121.51 27.0 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.287 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.85 -23.4 29.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.139 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.99 -47.15 13.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.804 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.49 -41.39 60.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.988 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -104.21 115.2 63.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.958 -170.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -98.73 -16.37 0.2 Allowed 'Trans proline' 0 C--N 1.327 -0.59 0 C-N-CA 120.953 1.102 . . . . 0.0 113.832 -169.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.56 -38.43 21.69 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.847 -169.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 t -83.56 -29.97 27.4 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 118.921 -1.112 . . . . 0.0 111.973 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.7 -33.97 74.86 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.584 -0.847 . . . . 0.0 111.624 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -80.28 -30.23 38.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.36 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -65.46 -49.98 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.646 -0.821 . . . . 0.0 110.944 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.36 -36.22 46.39 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.419 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.18 76.45 1.31 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.0 mm -85.15 109.87 18.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.2 mtp -82.77 -34.48 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.232 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -159.18 116.58 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.802 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.9 pt -79.53 147.87 68.68 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.435 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.66 127.42 13.53 Favored 'Cis proline' 0 C--N 1.326 -0.634 0 C-N-CA 123.123 -1.615 . . . . 0.0 111.464 6.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 m -107.72 115.85 30.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.07 127.17 52.76 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.102 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.33 129.67 67.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -175.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.24 124.45 40.25 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.663 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -112.11 150.27 30.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -103.84 -85.54 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.186 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 51.41 0.7 Allowed Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.11 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.87 36.42 6.77 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.777 -1.202 . . . . 0.0 111.95 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -157.11 126.41 3.13 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.06 119.53 5.88 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.417 1.411 . . . . 0.0 110.604 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.4 t -67.74 -60.5 2.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.34 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -149.84 156.68 42.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.198 0.999 . . . . 0.0 109.78 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -119.11 116.43 26.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.617 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 pp -120.87 149.54 42.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.489 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -138.86 171.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 122.117 0.961 . . . . 0.0 111.138 -165.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.56 173.21 49.57 Favored Glycine 0 N--CA 1.46 0.242 0 C-N-CA 119.797 -1.192 . . . . 0.0 110.635 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -79.56 119.88 23.14 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.384 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -117.82 133.13 23.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 92.4 Cg_exo -55.92 168.76 1.64 Allowed 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 121.695 1.597 . . . . 0.0 114.024 -176.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -66.2 -38.69 88.6 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.559 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -70.62 -34.86 72.56 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.745 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.48 -45.67 86.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.442 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 18.0 mt -57.73 -48.16 80.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.16 -41.35 98.22 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.179 -172.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.98 78.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.989 0.9 . . . . 0.0 111.122 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.101 -175.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.043 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -27.77 62.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.942 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.99 -43.22 88.43 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.671 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.17 -26.82 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.901 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.04 -30.29 49.77 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.106 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.407 -178.56 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.872 0.844 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 p -94.17 166.29 12.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.057 0.932 . . . . 0.0 111.109 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.74 163.93 19.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.5 m -128.33 115.0 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.383 174.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 10' ' ' PHE . 4.8 mp -96.93 169.81 9.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.629 1.204 . . . . 0.0 110.214 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -157.46 177.47 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.121 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -43.0 -54.23 4.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.32 -32.69 16.4 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.659 -0.816 . . . . 0.0 112.558 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.96 -28.4 61.47 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.121 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CD2' HD21 ' A' ' 5' ' ' LEU . 63.7 t80 -62.35 -45.26 93.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.221 0.534 . . . . 0.0 111.959 176.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.66 -41.32 98.21 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.072 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.81 -31.3 72.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.718 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.33 29.55 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.219 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 pt -79.5 -26.36 12.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 119.361 -0.935 . . . . 0.0 112.759 -172.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.11 -12.59 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.699 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.93 -89.16 0.09 OUTLIER Glycine 0 CA--C 1.519 0.303 0 C-N-CA 119.677 -1.249 . . . . 0.0 112.509 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -169.08 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.575 -173.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -67.0 140.92 96.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.063 -174.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -42.54 129.15 4.95 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.867 1.711 . . . . 0.0 113.634 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.83 112.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.0 106.88 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.288 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.17 120.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.179 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.18 110.4 22.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.439 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 94.5 m-85 -85.59 125.87 33.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -148.33 178.18 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.514 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.98 158.19 44.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.186 -1.006 . . . . 0.0 109.791 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.66 -26.7 60.87 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.63 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -84.72 -4.93 59.27 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.209 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 72' ' ' ILE . 11.6 t -66.43 150.64 48.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 112.391 -173.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -96.32 -59.95 1.02 Allowed Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.791 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 68.6 Cg_endo -73.84 -5.72 17.48 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 119.727 1.763 . . . . 0.0 113.589 -175.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -69.41 -28.09 65.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.075 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -67.01 -27.52 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.808 173.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.38 -38.36 71.52 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.472 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.574 ' HE2' ' H ' ' A' ' 91' ' ' GLN . 34.7 mtp -77.8 -11.67 59.91 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.336 177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.59 78.15 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.67 -11.9 11.36 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-N 121.836 1.691 . . . . 0.0 113.978 -174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -87.73 -36.38 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.82 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.72 -39.05 84.32 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.61 -36.43 84.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.406 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.57 -30.46 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.014 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 11.7 t80 -65.79 -45.84 80.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.733 0.777 . . . . 0.0 111.354 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.9 -23.78 65.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.839 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.2 -35.34 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.385 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -50.86 19.62 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.531 -175.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.402 ' HB2' HG11 ' A' ' 50' ' ' VAL . 95.5 m-70 -85.05 -52.77 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.525 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.1 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 169.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -83.25 15.05 3.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.331 -176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -122.36 -30.66 3.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.182 0.515 . . . . 0.0 110.062 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 HG12 HG23 ' A' ' 52' ' ' VAL . 13.4 p -122.91 125.76 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.537 0.684 . . . . 0.0 109.413 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.5 m -92.87 93.84 8.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 170.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 HG12 ' A' ' 50' ' ' VAL . 13.6 t -85.98 99.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.71 178.02 4.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.135 0.969 . . . . 0.0 111.896 -168.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -141.28 110.49 6.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.916 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 tt -117.9 132.1 56.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 171.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -82.54 124.05 29.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.496 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -61.54 -30.83 49.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.229 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.14 -43.8 13.53 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.23 -42.18 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.163 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -112.67 99.16 46.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -100.27 8.94 0.67 Allowed 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 120.894 1.062 . . . . 0.0 113.809 -166.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -82.52 -35.2 27.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.721 -172.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.3 t -82.33 -33.21 29.01 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.56 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.6 t -67.37 -26.34 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.765 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.9 p -74.18 -29.84 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.34 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -69.46 -49.47 54.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.13 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.99 -36.1 23.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.882 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.15 77.21 1.06 Allowed Glycine 0 N--CA 1.461 0.343 0 C-N-CA 119.714 -1.232 . . . . 0.0 110.065 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.67 111.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.5 mtm -95.54 -18.06 20.91 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.33 -172.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.3 t -150.04 99.55 2.83 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 118.642 -1.223 . . . . 0.0 111.209 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.41 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -80.92 149.15 66.42 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.484 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.95 146.55 51.94 Favored 'Cis proline' 0 C--N 1.327 -0.594 0 C-N-CA 122.964 -1.682 . . . . 0.0 111.286 2.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 5.9 m -125.13 123.85 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.89 0.852 . . . . 0.0 109.453 -174.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.77 121.16 41.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.9 124.65 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -100.97 131.57 46.79 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.894 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.439 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 93.7 m-85 -112.36 142.99 44.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.97 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -97.37 -76.18 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.743 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.29 61.17 0.51 Allowed Glycine 0 N--CA 1.463 0.464 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.048 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.8 43.02 36.69 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 119.735 -1.221 . . . . 0.0 110.951 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.461 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -151.89 111.39 2.9 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -176.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.8 Cg_endo -71.53 115.81 4.44 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.3 1.333 . . . . 0.0 110.112 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.05 -48.89 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.449 -0.9 . . . . 0.0 110.381 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HZ2' ' HB3' ' A' ' 102' ' ' ASP . 56.7 mtmt -146.24 147.91 31.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.58 1.181 . . . . 0.0 110.276 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -131.6 111.32 11.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.567 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.14 143.88 51.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.01 0.91 . . . . 0.0 108.805 174.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.21 165.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 122.109 0.957 . . . . 0.0 111.296 -167.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 169.97 33.91 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -77.09 111.03 12.25 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.214 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.574 ' H ' ' HE2' ' A' ' 35' ' ' MET . 6.4 pt20 -117.24 125.71 27.98 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -58.14 173.0 1.06 Allowed 'Trans proline' 0 C--N 1.326 -0.633 0 C-N-CA 121.412 1.408 . . . . 0.0 113.702 -174.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.53 -40.78 60.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.18 176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.98 -29.69 70.63 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.029 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 91' ' ' GLN . 72.8 mm-40 -74.45 -38.34 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.69 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.5 mm? -59.2 -46.34 88.69 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.073 172.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.34 -42.16 98.22 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.034 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.43 92.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.481 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.91 -51.51 64.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.438 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.93 -27.57 43.74 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.397 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.34 -31.42 67.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 118.856 -1.137 . . . . 0.0 111.731 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.418 ' HB3' ' HZ2' ' A' ' 85' ' ' LYS . 33.3 t0 -65.71 -43.56 88.75 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.865 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.82 -26.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.55 -10.64 59.73 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.346 -178.355 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.0 p -95.07 155.04 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.924 0.869 . . . . 0.0 110.157 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 25.7 ttt -115.84 121.06 41.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.186 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -87.4 118.57 26.93 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.202 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.43 175.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.673 1.225 . . . . 0.0 109.99 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -157.79 168.84 26.05 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -37.9 -47.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.68 -47.17 10.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.613 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -71.47 -25.93 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.5 -49.67 71.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.208 0.528 . . . . 0.0 111.994 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.02 -37.29 86.6 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.404 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -75.17 -28.6 60.14 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.977 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.94 67.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.334 0.588 . . . . 0.0 112.178 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -79.48 -28.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.496 -171.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -75.45 -13.87 60.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.44 -85.79 0.03 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.01 -175.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.33 -54.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.05 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -76.02 159.85 79.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.199 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.39 136.3 74.86 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 121.749 1.633 . . . . 0.0 112.709 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.18 109.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.32 115.1 22.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.705 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 24' ' ' PHE . 84.5 t -87.08 123.33 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 119.207 -0.997 . . . . 0.0 108.45 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 3.1 m-20 -101.55 104.68 15.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CZ ' HG13 ' A' ' 22' ' ' VAL . 81.4 m-85 -83.55 124.97 31.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -149.38 175.13 11.72 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.066 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.34 152.97 44.86 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.292 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.83 -24.77 65.32 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.589 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.414 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 32.4 p-90 -88.59 -2.26 58.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.644 173.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 72' ' ' ILE . 9.9 t -68.22 146.5 53.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.367 1.08 . . . . 0.0 111.906 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.29 -58.42 1.22 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.69 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.1 Cg_endo -71.47 -9.33 25.0 Favored 'Trans proline' 0 C--N 1.329 -0.488 0 CA-C-N 120.044 1.922 . . . . 0.0 114.103 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 m -70.84 -22.87 62.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.742 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.35 -31.67 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.487 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.26 -53.0 62.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -85.38 4.64 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.18 80.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 121.132 -0.98 . . . . 0.0 113.091 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.83 -15.78 13.17 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-N 121.802 1.679 . . . . 0.0 113.976 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 93' ' ' LYS . 19.8 m -76.81 -33.21 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.442 -1.303 . . . . 0.0 110.31 174.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.89 -35.31 76.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.947 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.25 -41.32 97.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.967 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -69.4 -32.52 71.58 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.057 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 35.4 t80 -66.91 -43.13 84.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.678 0.751 . . . . 0.0 111.919 -177.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.76 -25.47 63.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.963 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -83.97 -15.65 47.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.727 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.45 -58.41 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.458 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 90.2 m-70 -83.68 -44.61 14.32 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.913 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.08 -95.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 170.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -80.22 -16.77 54.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.197 -1.001 . . . . 0.0 111.631 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.1 tppt? -72.98 -35.25 66.86 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.523 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.61 165.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.516 1.15 . . . . 0.0 111.062 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 m -126.18 90.47 3.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 162.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.28 93.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 3' ' ' MET . . . -101.17 174.4 6.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.37 1.081 . . . . 0.0 111.563 -168.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -138.94 112.02 7.96 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.502 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 tp -111.18 135.11 52.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 171.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -83.93 120.38 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 118.636 -1.226 . . . . 0.0 108.327 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.13 -20.94 23.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.146 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 14.8 t70 -81.69 -39.54 24.16 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.052 177.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -80.56 -42.89 21.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.85 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.07 113.31 64.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.287 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -105.76 7.81 0.22 Allowed 'Trans proline' 0 C--N 1.327 -0.603 0 C-N-CA 120.473 0.782 . . . . 0.0 114.089 -167.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -89.96 -43.37 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.994 -1.082 . . . . 0.0 112.614 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.5 t -82.02 -25.38 34.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 111.689 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -65.56 -23.56 66.89 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.741 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -79.44 -35.74 39.98 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.437 175.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -55.56 18.05 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.766 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -83.44 -32.14 26.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.36 -0.936 . . . . 0.0 112.045 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.3 67.66 1.4 Allowed Glycine 0 N--CA 1.46 0.247 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -91.1 100.01 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.2 mtt -135.94 32.43 2.95 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.533 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.6 t -146.33 58.41 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.313 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.6 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -71.66 147.51 92.12 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.453 -177.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.0 129.79 19.8 Favored 'Cis proline' 0 C--N 1.325 -0.676 0 C-N-CA 123.151 -1.604 . . . . 0.0 111.18 1.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.9 m -110.49 121.41 45.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 23' ' ' ASP . 17.3 mt -110.11 124.19 51.08 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.884 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mt -130.49 122.25 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 119.581 -0.848 . . . . 0.0 108.857 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.32 120.49 33.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 96.4 m-85 -108.38 141.43 40.22 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.144 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -98.52 -66.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.88 49.57 0.9 Allowed Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.548 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.55 -32.82 6.57 Favored Glycine 0 N--CA 1.462 0.398 0 C-N-CA 119.587 -1.292 . . . . 0.0 112.122 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.41 127.23 71.71 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 63.6 Cg_endo -75.79 120.99 6.03 Favored 'Trans proline' 0 C--N 1.325 -0.691 0 C-N-CA 121.552 1.501 . . . . 0.0 110.42 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.8 t -78.21 -50.09 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.903 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.89 134.03 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.19 106.21 12.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.736 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.5 pt? -127.76 150.06 49.97 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.12 155.75 24.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.669 -168.015 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.68 179.42 29.4 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -69.57 138.38 53.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.369 1.081 . . . . 0.0 109.683 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.736 HE22 ' HG ' ' A' ' 87' ' ' LEU . 6.5 pt20 -152.77 122.04 3.3 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -54.47 167.47 1.36 Allowed 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.617 1.544 . . . . 0.0 114.656 -173.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 1.1 tmmt? -61.72 -38.66 88.72 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.088 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.296 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -73.69 -37.68 65.12 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.881 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.86 -48.36 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.12 169.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' A' ' 46' ' ' HIS . 50.6 mt-10 -66.55 -30.36 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.239 -173.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.1 -51.57 52.68 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.905 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.99 -42.41 99.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.777 0.798 . . . . 0.0 111.564 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HA ' HG21 ' A' ' 103' ' ' VAL . 44.9 mt -87.4 -28.6 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.039 -0.665 . . . . 0.0 112.631 -170.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.39 64.65 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.468 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -47.43 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.839 -0.745 . . . . 0.0 111.535 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' A' ' 100' ' ' LEU . 27.8 m -83.11 -25.05 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 49' ' ' LYS . 83.1 mt -78.94 -36.63 41.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.652 -174.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.799 -179.557 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 121.706 0.765 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 ttt -82.62 159.82 22.62 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.796 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -130.0 108.53 10.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.33 168.77 11.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.517 1.151 . . . . 0.0 109.653 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.3 t -157.86 150.89 23.05 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 25.3 p-10 -24.91 -56.97 0.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.37 -50.67 15.19 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.628 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -70.84 -22.33 62.33 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.566 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CE2' HG11 ' A' ' 22' ' ' VAL . 15.9 t80 -53.19 -60.4 3.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 111.923 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -76.18 -35.31 59.2 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.896 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.39 -23.74 67.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.453 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -55.74 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.644 -0.66 . . . . 0.0 111.425 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.68 -36.01 63.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.972 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -71.08 -14.87 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -97.59 0.02 OUTLIER Glycine 0 N--CA 1.461 0.337 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.962 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -172.38 84.67 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 170.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -154.13 121.85 2.95 Favored Pre-proline 0 C--N 1.322 -0.606 0 C-N-CA 118.608 -1.237 . . . . 0.0 111.488 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.95 110.61 0.39 Allowed 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.892 1.728 . . . . 0.0 112.633 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -143.99 120.91 5.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.9 tt -91.28 109.71 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.805 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 10' ' ' PHE . 77.1 t -82.8 128.7 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.715 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.99 117.7 35.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -98.64 116.94 31.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -147.17 177.37 9.23 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.217 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.57 33.51 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.796 -1.162 . . . . 0.0 109.787 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.58 -11.39 59.86 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.01 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 19.1 p-90 -95.71 4.02 53.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.835 -0.541 . . . . 0.0 112.267 172.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' A' ' 72' ' ' ILE . 4.2 t -78.24 153.4 31.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.248 1.023 . . . . 0.0 111.648 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.91 -68.12 1.22 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.13 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -83.32 9.17 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 CA-C-N 119.218 1.509 . . . . 0.0 113.867 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 26.7 m -75.8 -20.96 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.959 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -63.28 -27.13 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.88 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.6 mtp -57.89 -58.38 8.66 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.728 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.429 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.3 ptm -86.35 6.55 29.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.42 -52.86 62.62 Favored Pre-proline 0 C--N 1.321 -0.662 0 O-C-N 121.136 -0.977 . . . . 0.0 113.011 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 83.3 Cg_endo -77.99 -20.21 11.78 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 CA-C-N 121.561 1.593 . . . . 0.0 113.579 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.95 -31.73 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 118.211 -1.396 . . . . 0.0 110.739 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.01 -40.83 87.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.66 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -72.71 -30.38 64.16 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.645 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.1 -19.28 60.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.289 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.8 t80 -69.4 -39.67 77.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.745 0.783 . . . . 0.0 110.856 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.97 -20.39 65.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.689 171.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.4 -24.65 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.502 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.617 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 50' ' ' VAL . 45.6 m-70 -83.94 -56.13 3.86 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.293 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.96 -70.05 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 171.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -87.5 35.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.889 0.852 . . . . 0.0 110.4 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HG3' HD22 ' A' ' 104' ' ' LEU . 16.0 tppt? -153.64 -48.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.4 p -95.19 120.91 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.999 -177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.2 m -89.86 96.48 10.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.25 98.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.7 164.86 12.4 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.208 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -132.1 116.09 16.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.177 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 6' ' ' THR . 23.9 tp -111.01 129.87 55.77 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.123 171.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -84.42 110.98 19.05 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -74.57 -14.81 16.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.426 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 25.9 t0 -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.594 169.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.45 -40.34 73.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -114.59 105.95 52.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.51 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -105.69 10.86 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.578 0 N-CA-C 114.219 0.815 . . . . 0.0 114.219 -166.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -83.12 -42.17 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 120.873 -1.142 . . . . 0.0 111.873 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 t -81.86 -25.7 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.185 -1.006 . . . . 0.0 112.514 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -66.23 -26.65 67.47 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.224 -0.99 . . . . 0.0 111.48 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -78.0 -29.92 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.697 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -70.25 -52.24 24.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.946 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -77.84 -33.16 52.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.454 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.13 70.66 1.33 Allowed Glycine 0 CA--C 1.519 0.285 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.43 94.55 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.2 mtt -92.02 -18.06 24.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.626 -1.23 . . . . 0.0 112.705 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -145.75 100.84 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.275 -1.37 . . . . 0.0 110.898 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.3 pp -68.87 150.4 97.63 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.207 171.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.533 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 94.1 Cg_endo -81.55 156.97 81.76 Favored 'Cis proline' 0 C--N 1.323 -0.771 0 C-N-CA 123.324 -1.532 . . . . 0.0 111.833 2.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 88' ' ' ILE . 54.8 m -142.27 119.21 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.922 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.19 126.21 51.83 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.531 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mt -132.95 128.66 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.566 -0.853 . . . . 0.0 109.165 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 103' ' ' VAL . 2.8 tm? -95.71 127.05 41.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.433 ' N ' HD13 ' A' ' 77' ' ' LEU . 96.5 m-85 -116.14 132.13 56.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -107.56 -42.75 4.69 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.857 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.22 60.09 0.51 Allowed Glycine 0 N--CA 1.46 0.288 0 C-N-CA 119.16 -1.495 . . . . 0.0 110.986 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.7 40.9 85.24 Favored Glycine 0 N--CA 1.462 0.373 0 C-N-CA 119.775 -1.202 . . . . 0.0 112.004 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.84 120.73 1.04 Allowed Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.23 113.89 3.9 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.241 1.294 . . . . 0.0 109.929 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.88 -42.95 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.411 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.05 125.95 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.784 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -107.04 124.82 50.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -135.0 142.3 46.41 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.786 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.93 175.15 10.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.196 0.998 . . . . 0.0 110.717 -171.017 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.44 -159.64 35.35 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -91.85 128.77 37.81 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.319 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.429 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -133.4 122.47 17.03 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.94 163.98 5.27 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.259 1.306 . . . . 0.0 112.536 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -60.36 -29.39 68.89 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.193 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.85 -34.67 73.92 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.824 -0.548 . . . . 0.0 111.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -71.96 -44.17 64.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.007 0.908 . . . . 0.0 109.863 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -58.36 -49.24 77.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.023 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.59 -37.58 86.81 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.366 -0.834 . . . . 0.0 112.434 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.357 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.502 HE21 HD22 ' A' ' 87' ' ' LEU . 13.4 tp60 -58.25 -49.87 75.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.681 0.753 . . . . 0.0 111.293 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.9 mm? -77.34 -23.3 50.93 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.357 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 -36.85 73.4 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.283 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.91 -47.16 78.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.545 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.437 HG21 ' HG ' ' A' ' 77' ' ' LEU . 30.1 m -80.13 -29.1 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 49' ' ' LYS . 92.1 mt -72.43 -30.59 64.75 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.773 177.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 122.146 0.974 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 tpt -87.9 165.47 15.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.839 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -132.95 117.67 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.601 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.5 176.07 5.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.736 1.255 . . . . 0.0 110.253 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -156.4 173.85 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -43.63 -44.75 6.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.63 -45.84 9.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.464 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -69.46 -25.38 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.439 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.86 -51.24 70.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.984 0.421 . . . . 0.0 111.81 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -67.3 -30.27 70.08 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.596 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -74.12 -31.94 62.98 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.492 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.16 -48.58 56.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.29 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.93 -27.89 20.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 119.709 -0.797 . . . . 0.0 112.391 -173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -74.43 -14.91 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -86.75 0.05 OUTLIER Glycine 0 N--CA 1.462 0.368 0 C-N-CA 119.774 -1.203 . . . . 0.0 112.985 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -162.57 -51.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.898 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -64.64 131.69 95.2 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.747 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.96 117.86 4.34 Favored 'Trans proline' 0 C--N 1.326 -0.632 0 C-N-CA 121.67 1.58 . . . . 0.0 112.167 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -107.27 117.94 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 100' ' ' LEU . 39.0 tp -87.07 109.9 19.73 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.455 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.5 t -86.75 132.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.653 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 75' ' ' LEU . 1.7 m-20 -100.37 106.09 17.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 171.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -83.99 121.52 27.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -147.21 177.21 9.37 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.415 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.35 156.8 46.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.458 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -28.74 64.12 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.323 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.596 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.2 t -66.75 143.8 56.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.207 1.003 . . . . 0.0 111.304 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.25 -59.11 1.49 Allowed Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.593 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 73.5 Cg_endo -76.4 -2.03 12.17 Favored 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 119.71 1.755 . . . . 0.0 113.841 -173.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.0 m -74.0 -24.98 59.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.235 174.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.08 -26.28 62.99 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.242 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mtt -64.65 -41.66 95.97 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.313 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 ptp -80.57 -7.34 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.007 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.69 -57.28 13.88 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 112.968 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 78.3 Cg_endo -67.76 -33.68 26.68 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.533 1.583 . . . . 0.0 112.613 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' A' ' 93' ' ' LYS . 42.6 t -56.8 -44.8 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.38 -28.19 62.85 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.814 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -67.59 -40.98 84.77 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.574 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.34 -34.96 79.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 110.921 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 32.6 t80 -72.0 -42.22 66.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.721 0.772 . . . . 0.0 112.034 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -25.59 66.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.954 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.29 -17.6 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.612 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.08 -54.79 6.32 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.782 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 92.2 m-70 -89.5 -50.39 6.12 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.517 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.54 -83.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.42 37.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.18 0.991 . . . . 0.0 110.406 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -145.11 -42.13 0.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.53 164.78 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.536 1.16 . . . . 0.0 110.707 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -139.92 88.38 2.23 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 165.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 1.1 m -70.1 98.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.32 179.86 4.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.853 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -141.71 108.63 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.482 -171.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -115.64 133.58 55.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -81.89 117.66 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.314 -0.954 . . . . 0.0 108.748 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.31 -14.65 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.81 -40.81 24.37 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.393 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.72 -47.97 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.507 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -98.84 118.44 62.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.773 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -101.27 -10.77 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 120.75 0.966 . . . . 0.0 114.314 -167.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -78.74 -45.22 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.407 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -79.81 -34.31 39.64 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.707 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -65.16 -27.83 68.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.695 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -77.88 -32.31 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.469 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.1 -49.53 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.288 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.57 -29.62 24.0 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.851 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.0 74.62 1.22 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.276 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.6 99.43 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -96.7 9.26 42.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.87 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.2 t -156.38 157.18 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.301 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.594 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -141.98 145.46 36.3 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -83.95 138.01 29.59 Favored 'Cis proline' 0 C--N 1.324 -0.718 0 C-N-CA 123.235 -1.569 . . . . 0.0 111.008 3.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -112.71 118.53 35.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.955 0.883 . . . . 0.0 109.373 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.44 HD11 ' OD2' ' A' ' 23' ' ' ASP . 4.4 mm? -96.39 126.03 41.31 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.247 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.19 125.08 32.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tt -93.33 134.11 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.885 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 83.5 m-85 -115.82 131.98 56.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.134 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -91.92 -71.35 0.64 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.668 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.23 53.12 0.71 Allowed Glycine 0 N--CA 1.462 0.41 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.3 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.8 45.49 7.2 Favored Glycine 0 N--CA 1.461 0.309 0 C-N-CA 119.687 -1.244 . . . . 0.0 111.073 -177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.68 118.1 1.33 Allowed Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 60.4 Cg_endo -72.88 120.03 6.41 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.345 1.363 . . . . 0.0 110.679 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.6 m -78.62 -45.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.434 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -148.35 161.82 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.149 0.976 . . . . 0.0 110.059 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -142.6 110.23 5.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.181 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -119.27 159.38 24.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.485 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -141.39 165.16 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 119.101 -1.04 . . . . 0.0 111.481 -167.077 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.32 171.23 42.76 Favored Glycine 0 N--CA 1.461 0.32 0 C-N-CA 120.033 -1.079 . . . . 0.0 110.539 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.88 119.36 14.9 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.664 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.457 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.1 pt20 -119.57 120.78 30.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.541 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.11 166.86 0.15 Allowed 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.096 1.864 . . . . 0.0 114.622 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HB2' HG13 ' A' ' 38' ' ' VAL . 34.4 ttpt -60.42 -36.11 77.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.562 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.54 -29.76 70.43 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.851 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.32 -38.55 60.19 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 111.044 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.4 mm? -56.63 -53.81 53.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.902 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.75 -44.21 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.462 -171.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.23 86.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.921 0.867 . . . . 0.0 111.378 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.91 -48.95 78.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.066 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.7 mm? -72.56 -33.74 67.01 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.739 -0.785 . . . . 0.0 112.766 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.1 66.6 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.144 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.53 -43.03 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.883 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.2 m -85.12 -28.23 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 49' ' ' LYS . 90.7 mt -75.52 -12.98 60.34 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.911 -173.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.838 179.681 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 122.419 1.104 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 tpt -88.72 162.15 16.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.577 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -132.53 116.47 16.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.148 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -95.87 170.65 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.903 1.335 . . . . 0.0 110.216 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -152.25 168.46 25.32 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.86 -41.5 11.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.49 -41.87 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.303 -0.873 . . . . 0.0 112.396 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -66.82 -29.08 68.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.828 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.35 -45.17 80.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.147 0.499 . . . . 0.0 111.953 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.14 -34.65 78.07 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.844 -0.742 . . . . 0.0 112.026 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.51 -25.53 28.74 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.973 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.72 -46.59 71.77 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.72 -0.612 . . . . 0.0 112.515 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 pt -77.84 -26.11 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.606 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -70.98 -15.42 62.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.41 -88.08 0.02 OUTLIER Glycine 0 N--CA 1.46 0.243 0 C-N-CA 119.732 -1.223 . . . . 0.0 112.963 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -158.34 -65.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.651 -173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -80.16 167.33 34.12 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.944 -167.787 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -56.64 137.26 80.25 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.797 1.665 . . . . 0.0 113.061 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.31 109.69 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.7 tt -87.21 115.97 24.97 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.395 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' N ' HD23 ' A' ' 21' ' ' LEU . 97.5 t -93.43 127.51 45.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.906 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.05 107.77 20.33 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -84.52 114.52 22.01 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -143.12 173.75 11.29 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.516 -172.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.0 154.72 50.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.35 1.071 . . . . 0.0 110.272 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.756 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -89.03 0.88 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.568 -0.707 . . . . 0.0 112.474 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.0 t -72.64 153.2 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.342 1.068 . . . . 0.0 112.23 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.23 -60.0 1.14 Allowed Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.545 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.5 Cg_endo -73.13 -4.54 15.6 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 CA-C-N 119.739 1.769 . . . . 0.0 114.013 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 m -76.86 -21.91 54.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.335 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 33' ' ' ARG . 3.9 mpt_? -65.53 -31.0 71.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.483 -0.761 . . . . 0.0 111.622 173.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 82.5 mtp -67.41 -45.92 74.72 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.576 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ptp -82.18 -3.41 54.91 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.822 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -45.24 -50.46 28.58 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.4 Cg_endo -76.06 -36.09 2.12 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-N 121.472 1.562 . . . . 0.0 113.451 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -64.76 -34.88 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.777 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.1 -40.09 82.68 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.745 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.79 -37.22 86.89 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.714 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.929 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 23.6 t80 -72.65 -43.3 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.807 0.813 . . . . 0.0 111.365 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.19 64.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.954 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -88.78 -12.34 42.37 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.19 -1.004 . . . . 0.0 111.782 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.12 -54.49 5.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.984 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 94.4 m-70 -88.06 -48.65 7.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 -177.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.63 -92.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 170.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.06 -4.63 48.21 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.421 -0.912 . . . . 0.0 111.673 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -92.19 -35.09 14.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.724 -0.61 . . . . 0.0 110.449 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.9 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.464 1.126 . . . . 0.0 110.94 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.5 m -130.67 90.1 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 163.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -78.75 99.39 3.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.4 179.67 4.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.033 0.92 . . . . 0.0 111.593 -169.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -142.26 109.29 5.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.7 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.39 133.41 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.03 115.06 22.63 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.761 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.07 -26.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.688 -0.805 . . . . 0.0 111.616 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.36 -48.92 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.83 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -79.01 -32.23 45.03 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -118.37 95.84 49.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.267 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -100.67 9.82 0.58 Allowed 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 120.772 0.981 . . . . 0.0 114.377 -168.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -88.05 -48.79 7.48 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.943 -173.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -79.59 -26.64 41.22 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.177 -1.009 . . . . 0.0 111.776 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.5 -24.64 64.69 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.477 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -83.68 -26.88 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.212 171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.95 -49.84 73.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.114 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -85.12 -31.53 23.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.585 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.48 77.02 1.24 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 74' ' ' THR . 35.4 mm -88.25 105.32 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.6 mtt -100.61 -3.91 29.52 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.753 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -159.79 104.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.755 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.47 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -85.46 150.55 54.41 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.577 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.54 141.58 56.33 Favored 'Cis proline' 0 C--N 1.326 -0.655 0 C-N-CA 123.114 -1.619 . . . . 0.0 111.533 4.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.504 HG21 HD12 ' A' ' 69' ' ' ILE . 3.2 m -118.34 118.05 30.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.173 0.987 . . . . 0.0 109.126 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.47 120.84 36.42 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.1 mt -130.51 126.19 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 119.456 -0.898 . . . . 0.0 108.849 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.3 tm? -96.16 121.5 38.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.281 -178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.2 151.76 24.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.043 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -119.8 -61.48 1.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.688 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.78 53.75 0.7 Allowed Glycine 0 N--CA 1.462 0.394 0 C-N-CA 119.414 -1.374 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.59 32.22 11.9 Favored Glycine 0 N--CA 1.461 0.357 0 C-N-CA 119.836 -1.173 . . . . 0.0 111.811 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.47 118.21 1.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.72 113.5 3.67 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.292 1.328 . . . . 0.0 109.323 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.29 -45.97 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.427 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -143.26 145.3 32.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.206 1.003 . . . . 0.0 109.685 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -124.85 111.05 15.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.134 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -121.81 148.09 45.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.365 1.078 . . . . 0.0 108.563 169.338 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.95 161.8 35.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.616 -167.538 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.35 -173.11 35.41 Favored Glycine 0 N--CA 1.46 0.248 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.182 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -81.22 126.72 31.87 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.465 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.44 HE22 HD13 ' A' ' 87' ' ' LEU . 7.1 pt20 -141.94 122.49 8.44 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.97 171.48 1.6 Allowed 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 121.351 1.368 . . . . 0.0 114.117 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.72 -42.09 56.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.86 -30.12 71.1 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.458 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -73.37 -41.54 63.27 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.539 173.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -57.48 -56.14 25.7 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.387 172.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.53 -44.93 85.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.986 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -50.3 73.86 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -56.2 -53.23 59.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.072 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.2 -30.42 60.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.623 -0.831 . . . . 0.0 112.616 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.7 62.13 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.153 -0.967 . . . . 0.0 112.33 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -67.53 -46.86 71.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.727 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.442 HG21 ' HG ' ' A' ' 77' ' ' LEU . 21.7 m -83.04 -24.99 8.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' HG3' ' A' ' 49' ' ' LYS . 87.0 mt -77.95 -29.81 50.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.711 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.708 177.328 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 122.113 0.958 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 159.9 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.032 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -134.97 111.78 10.09 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.189 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.962 1.363 . . . . 0.0 110.584 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' ASP . 6.8 t -156.48 157.32 35.26 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.8 p-10 -25.93 -54.42 0.06 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.84 -49.74 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.613 -0.679 . . . . 0.0 112.606 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -66.74 -32.52 73.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.606 0.717 . . . . 0.0 110.789 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -48.36 -48.71 36.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.053 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.86 -50.07 65.89 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.959 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.68 -35.9 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.984 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.47 93.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 pt -83.38 -24.23 8.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.631 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -71.24 -16.23 62.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -90.9 0.02 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.498 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.88 -60.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.026 -1.07 . . . . 0.0 111.133 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -72.5 146.53 88.92 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.222 -172.715 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HB3' HD21 ' A' ' 77' ' ' LEU . 25.9 Cg_exo -53.2 148.82 30.45 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.996 1.797 . . . . 0.0 115.575 -175.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -144.77 116.92 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 tp -78.93 130.0 35.12 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.218 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 94.9 t -106.7 141.68 21.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.494 -0.883 . . . . 0.0 108.626 175.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 115.29 24.54 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 69.4 m-85 -99.27 112.44 24.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.05 173.94 13.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.477 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.08 158.13 44.34 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.957 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.53 -33.85 35.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.509 -0.876 . . . . 0.0 111.479 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -74.45 1.36 12.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.462 -0.773 . . . . 0.0 112.629 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 72' ' ' ILE . 7.7 t -66.09 155.7 36.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.705 1.24 . . . . 0.0 112.975 -171.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.81 -61.98 0.99 Allowed Glycine 0 CA--C 1.521 0.445 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.29 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 74.4 Cg_endo -73.87 -12.57 24.07 Favored 'Trans proline' 0 C--N 1.328 -0.552 0 CA-C-N 119.533 1.667 . . . . 0.0 113.808 -175.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 m -73.45 -6.55 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.974 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -63.04 -33.39 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.622 -0.674 . . . . 0.0 112.166 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 44.8 mtt -68.89 -48.35 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.178 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.4 ptp -78.52 -0.99 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.55 -59.02 8.11 Favored Pre-proline 0 C--N 1.322 -0.613 0 O-C-N 121.341 -0.849 . . . . 0.0 113.288 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.17 -22.45 34.76 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 CA-C-N 121.607 1.61 . . . . 0.0 113.149 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.37 -49.66 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.357 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -68.23 -43.42 78.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.635 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.05 -32.95 72.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.584 173.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 8.3 t80 -74.92 -45.2 44.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -169.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.32 -29.63 69.87 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.68 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.84 -5.51 58.57 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.074 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.41 -56.45 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' HB2' HG12 ' A' ' 50' ' ' VAL . 91.3 m-70 -81.16 -54.21 5.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.91 -88.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 169.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.11 43.04 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.252 1.025 . . . . 0.0 110.468 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -153.49 -56.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.9 p -95.51 155.24 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.617 0.722 . . . . 0.0 109.654 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -117.15 96.62 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.55 96.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.48 168.48 10.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.804 0.811 . . . . 0.0 110.148 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.13 117.2 19.59 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.551 -170.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.34 116.58 23.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -78.21 122.57 25.84 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.459 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -70.2 -15.46 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.598 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -82.09 -50.73 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.525 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -76.43 -37.92 56.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.799 -0.761 . . . . 0.0 111.724 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -113.55 94.51 32.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.115 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -89.57 2.04 5.61 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 121.234 1.289 . . . . 0.0 113.691 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.37 -44.29 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.315 -0.954 . . . . 0.0 112.285 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 t -80.08 -31.93 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.598 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -69.91 -30.66 68.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.599 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 m -80.03 -30.34 39.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.216 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.28 -43.8 90.05 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.509 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -76.21 -36.38 58.64 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.004 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.93 64.63 0.95 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.6 mm -85.07 95.15 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mtm -89.2 -24.56 22.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.859 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.8 t -132.2 91.17 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.962 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.1 pp -73.57 146.42 86.01 Favored Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.643 172.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 83.6 Cg_endo -81.5 148.5 72.43 Favored 'Cis proline' 0 C--N 1.324 -0.748 0 C-N-CA 123.082 -1.633 . . . . 0.0 111.181 2.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.409 HG23 HG22 ' A' ' 88' ' ' ILE . 3.4 m -132.84 124.66 28.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.8 mt -113.98 138.58 50.16 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.63 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.8 mt -145.7 124.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 19' ' ' PRO . 9.0 tt -97.05 137.78 35.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.61 -1.236 . . . . 0.0 109.604 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -116.21 156.37 26.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.685 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -110.49 -75.05 0.63 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.118 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.18 51.62 0.76 Allowed Glycine 0 N--CA 1.462 0.385 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.162 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.31 25.45 36.56 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.767 -1.206 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 3.3 tmt_? -146.45 123.76 5.98 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.07 128.14 15.33 Favored 'Trans proline' 0 C--N 1.322 -0.816 0 C-N-CA 121.389 1.393 . . . . 0.0 111.17 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 t -71.76 -56.54 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.557 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -141.83 142.94 33.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.057 0.932 . . . . 0.0 108.698 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -120.47 112.97 19.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.669 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.5 pt? -114.93 152.36 32.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 169.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.66 169.73 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.415 1.102 . . . . 0.0 111.582 -166.317 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.74 -162.23 52.9 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.874 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -81.27 133.93 35.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.434 1.111 . . . . 0.0 108.573 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.99 108.22 15.24 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -48.81 158.03 1.36 Allowed 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.761 1.641 . . . . 0.0 112.797 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.43 -21.71 51.88 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.929 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.75 -46.28 72.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.727 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -65.48 -45.26 84.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.66 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.8 mt -57.41 -51.03 71.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.18 -39.42 92.64 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.85 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.1 66.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.883 0.849 . . . . 0.0 111.366 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -64.82 -50.93 64.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.37 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.75 -29.84 56.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.148 -173.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.77 -28.11 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.201 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.38 -42.12 83.89 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.578 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.66 -25.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.5 mt -81.7 -32.06 31.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.05 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.066 -177.045 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 HG23 ' A' ' 52' ' ' VAL . 68.5 p . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 121.851 0.834 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.3 tpt -92.94 165.75 12.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -140.37 119.07 12.39 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.09 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.88 -179.87 4.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.656 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -161.46 156.83 24.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -35.94 -43.3 0.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.88 -55.64 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.739 -0.601 . . . . 0.0 112.19 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -69.21 -22.91 63.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.447 0.641 . . . . 0.0 111.634 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.05 -51.82 62.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.352 0.596 . . . . 0.0 111.755 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -67.96 -29.03 67.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -76.24 -26.64 56.22 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.245 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.95 12.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.75 -0.594 . . . . 0.0 111.528 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 pt -74.97 -33.44 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.931 -172.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.79 -20.42 60.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.92 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.5 -81.47 0.06 OUTLIER Glycine 0 N--CA 1.461 0.338 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.641 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -164.6 -46.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.702 -1.199 . . . . 0.0 113.055 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.03 164.05 19.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.804 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.93 145.05 98.53 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 122.124 1.882 . . . . 0.0 113.463 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -149.99 118.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.0 tp -82.48 128.19 34.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.907 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.07 123.8 58.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -100.15 106.38 18.08 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -83.51 118.96 24.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -151.6 178.99 8.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.263 -0.975 . . . . 0.0 109.921 -169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.06 155.31 43.27 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.051 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.87 63.65 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.664 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -77.84 -2.73 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -63.02 150.26 42.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.262 1.03 . . . . 0.0 111.859 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.08 -66.05 1.32 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.461 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 -9.8 26.25 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 CA-C-N 119.186 1.493 . . . . 0.0 113.948 -175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 m -69.07 -24.48 64.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.108 -0.995 . . . . 0.0 111.092 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.02 -27.36 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.559 -0.713 . . . . 0.0 111.946 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.8 mtp -68.91 -27.49 65.82 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.005 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.7 mtp -77.66 -10.24 59.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.31 35.35 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.383 -0.823 . . . . 0.0 112.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.44 3.61 6.65 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 CA-C-N 121.498 1.571 . . . . 0.0 114.794 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.03 -44.8 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.918 -1.114 . . . . 0.0 110.599 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.79 -36.12 82.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.0 -42.12 97.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.481 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -73.83 -23.86 59.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.762 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 21.7 t80 -76.7 -46.51 25.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.615 0.722 . . . . 0.0 111.789 -176.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -66.34 -28.96 69.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.97 -11.83 54.63 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.381 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.936 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.443 ' HB2' HG12 ' A' ' 50' ' ' VAL . 90.7 m-70 -81.58 -63.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.86 -74.72 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -84.65 24.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.742 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -142.0 -46.62 0.35 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.024 -0.671 . . . . 0.0 109.695 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.443 HG12 ' HB2' ' A' ' 46' ' ' HIS . 6.0 p -95.93 148.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.934 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -115.08 82.51 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 166.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG23 HG22 ' A' ' 2' ' ' THR . 3.8 m -72.77 95.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.41 174.12 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.45 -170.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -137.32 104.75 5.48 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.585 -171.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tt -108.19 129.05 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -83.16 120.1 25.36 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.448 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.67 -20.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.298 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.39 -35.86 71.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.226 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.64 -48.39 8.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.796 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -107.15 116.74 57.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.86 -168.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -100.49 -6.19 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.032 1.155 . . . . 0.0 114.21 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.51 -39.52 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.876 -169.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -76.01 -32.51 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.988 -1.085 . . . . 0.0 111.931 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 t -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.946 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -78.88 -35.57 43.48 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.209 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -61.76 -42.15 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.902 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 78' ' ' PHE . 24.3 m-85 -93.55 -39.34 10.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.42 -0.912 . . . . 0.0 111.678 -174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.91 78.59 1.42 Allowed Glycine 0 N--CA 1.461 0.317 0 C-N-CA 119.57 -1.3 . . . . 0.0 110.211 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.32 119.28 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.9 mtt -91.77 -34.49 14.58 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.571 -0.852 . . . . 0.0 112.394 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -159.08 117.94 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.048 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 72' ' ' ILE . 2.7 pp -76.52 151.22 82.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.494 174.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.34 144.84 69.56 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 C-N-CA 123.254 -1.561 . . . . 0.0 111.002 1.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.6 m -130.8 117.14 18.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.95 127.52 53.51 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.561 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.53 136.09 46.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 119.567 -0.853 . . . . 0.0 109.247 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -103.01 132.92 48.92 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 119.591 -0.844 . . . . 0.0 108.987 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.5 m-85 -115.88 143.5 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.698 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -100.31 -76.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.976 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.4 54.08 0.65 Allowed Glycine 0 N--CA 1.461 0.345 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.522 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.12 41.99 16.64 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.712 -1.232 . . . . 0.0 111.291 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -155.73 115.53 2.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.1 Cg_endo -73.39 119.7 6.12 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.273 1.315 . . . . 0.0 110.431 -172.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.45 -50.11 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.089 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -151.01 155.42 39.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.087 0.946 . . . . 0.0 109.726 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -137.96 126.93 24.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.83 0.824 . . . . 0.0 108.935 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 137.66 38.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.91 173.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.637 -164.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.2 -165.55 29.09 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.45 106.56 18.05 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 118.729 -1.188 . . . . 0.0 107.972 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.66 114.5 58.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.7 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.49 172.27 0.24 Allowed 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.885 1.723 . . . . 0.0 114.473 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -54.67 -35.69 63.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.83 170.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.29 -36.76 77.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.167 0.508 . . . . 0.0 111.505 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -73.41 -44.46 58.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.66 0.743 . . . . 0.0 110.503 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 10.9 mt -55.26 -57.67 10.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.506 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.51 -37.4 72.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.23 76.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.056 0.931 . . . . 0.0 110.893 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.19 -48.38 80.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.621 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -74.69 -28.05 60.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.284 -0.966 . . . . 0.0 112.864 -172.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.27 71.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.206 -0.998 . . . . 0.0 112.434 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.656 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.56 -21.91 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.1 mt -80.11 -36.22 35.65 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.299 -0.96 . . . . 0.0 112.912 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.242 -179.282 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 122.417 1.103 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.3 tpt -102.69 168.49 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.423 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 m -135.95 122.66 21.05 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.888 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.55 171.76 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.809 1.29 . . . . 0.0 110.436 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.7 t -151.76 160.02 43.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' THR . 8.3 p-10 -37.34 -43.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -169.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.98 -51.43 7.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.385 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -65.73 -31.42 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.028 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.11 -48.01 44.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.13 -40.04 96.44 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.425 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -75.08 -30.26 60.9 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.844 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.74 81.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.378 0.609 . . . . 0.0 112.278 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.55 -26.22 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.58 -173.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.67 -15.14 62.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -85.28 0.02 OUTLIER Glycine 0 N--CA 1.462 0.415 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.971 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -167.55 -67.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.157 -1.017 . . . . 0.0 110.257 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 143.79 86.93 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.657 -173.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -42.43 127.36 4.29 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 122.181 1.921 . . . . 0.0 114.596 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.1 t -117.76 118.42 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 21' ' ' LEU . 10.5 tt -90.71 131.37 36.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.829 -1.149 . . . . 0.0 109.156 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.9 130.83 61.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.433 171.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.46 107.59 18.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -82.06 126.44 32.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -144.26 170.58 15.72 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.936 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.47 153.25 51.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.765 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.44 65.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.398 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -81.53 -12.14 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.647 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.4 t -69.05 140.12 54.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.287 1.041 . . . . 0.0 111.463 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.95 -58.71 1.86 Allowed Glycine 0 CA--C 1.521 0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 74.1 Cg_endo -74.92 -1.26 10.96 Favored 'Trans proline' 0 C--N 1.326 -0.615 0 CA-C-N 119.877 1.839 . . . . 0.0 113.931 -173.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.5 m -73.56 -27.15 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.294 -0.962 . . . . 0.0 111.187 172.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.8 -27.13 64.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.237 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.7 mtp -63.24 -47.79 80.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.112 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.466 ' HA ' HG12 ' A' ' 38' ' ' VAL . 8.6 ptm -86.76 1.49 52.03 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.973 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -51.24 -52.28 60.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 O-C-N 120.874 -1.141 . . . . 0.0 113.084 173.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 94.9 Cg_endo -78.3 -23.75 8.52 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 CA-C-N 121.434 1.548 . . . . 0.0 113.523 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 35' ' ' MET . 3.9 p -74.78 -25.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.151 -1.019 . . . . 0.0 110.761 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.85 -30.71 62.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.052 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.96 -40.74 98.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.467 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.19 -31.0 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.564 0.697 . . . . 0.0 111.513 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.3 t80 -69.18 -39.86 78.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.623 0.725 . . . . 0.0 111.733 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.54 -25.98 66.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.439 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.55 -27.51 55.94 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.335 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -53.5 14.46 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.124 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.4 m-70 -88.66 -49.25 6.98 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.789 -176.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.99 -85.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.92 36.07 0.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.133 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -148.05 -35.67 0.21 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.501 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.6 p -122.64 141.36 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.277 -176.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -104.23 114.7 29.12 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.45 95.94 5.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.67 171.75 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.019 0.914 . . . . 0.0 111.782 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 117.45 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.617 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -114.69 123.24 48.78 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -87.18 113.37 22.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.102 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.65 -16.94 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.3 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.73 -42.36 64.2 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.025 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -75.15 -45.6 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.501 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -103.68 113.72 65.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.922 -170.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -95.28 -15.46 0.53 Allowed 'Trans proline' 0 C--N 1.326 -0.652 0 C-N-CA 121.082 1.188 . . . . 0.0 113.503 -170.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -88.75 -35.83 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.127 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.5 m -64.4 -39.32 93.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.54 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -69.14 -26.21 64.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.979 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.9 t -80.71 -32.86 35.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.85 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -62.61 -47.84 82.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.257 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.08 -29.27 16.64 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.765 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.07 80.37 1.21 Allowed Glycine 0 N--CA 1.461 0.312 0 C-N-CA 119.403 -1.38 . . . . 0.0 110.098 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.2 mm -91.0 101.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.9 mtt -79.97 -33.36 39.55 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.211 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -153.14 111.59 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.112 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.666 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -78.94 150.66 75.4 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.789 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.44 139.11 42.71 Favored 'Cis proline' 0 C--N 1.326 -0.638 0 C-N-CA 123.22 -1.575 . . . . 0.0 111.294 4.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -117.6 123.85 47.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.855 0.836 . . . . 0.0 109.412 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.3 122.81 42.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.67 125.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.458 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -95.47 127.5 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 83' ' ' PRO . 52.9 m-85 -109.59 149.82 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.82 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -141.74 106.97 4.98 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.43 68.28 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 119.783 -1.199 . . . . 0.0 111.945 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.68 52.39 20.69 Favored Glycine 0 N--CA 1.46 0.276 0 C-N-CA 119.909 -1.139 . . . . 0.0 111.047 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -156.46 105.69 2.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -175.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 71.8 Cg_exo -63.62 120.14 7.44 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.494 1.462 . . . . 0.0 112.223 -176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.36 -43.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.591 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -142.66 157.0 45.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.007 0.908 . . . . 0.0 109.562 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -137.7 102.79 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.451 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.73 163.94 13.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.062 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.475 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -147.83 138.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 109.36 -176.185 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.17 178.78 30.24 Favored Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.869 -1.158 . . . . 0.0 111.319 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -73.35 130.66 40.65 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.037 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.463 HE21 ' HG ' ' A' ' 96' ' ' LEU . 17.6 pt20 -133.11 121.27 16.65 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -54.45 168.25 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.921 1.747 . . . . 0.0 113.799 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 32.9 ttpt -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.633 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -69.26 -42.03 76.13 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.228 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.818 0.818 . . . . 0.0 110.67 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -63.83 -51.21 65.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.743 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.32 -46.01 85.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -46.12 86.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.97 0.89 . . . . 0.0 111.346 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.26 -54.52 32.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.279 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -26.84 62.72 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.17 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.09 65.85 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.946 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.82 -42.23 95.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.975 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.55 -27.31 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.609 -0.836 . . . . 0.0 113.152 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.45 -18.1 61.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.811 -178.046 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 HG22 HG23 ' A' ' 52' ' ' VAL . 40.3 p . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 122.098 0.951 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -85.17 170.9 12.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m -134.37 110.07 9.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.013 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.05 178.46 5.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.494 1.14 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -156.48 169.8 23.79 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -39.33 -50.7 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.69 -37.97 13.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.501 -0.879 . . . . 0.0 112.478 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -70.4 -33.35 71.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.77 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -54.52 -54.11 45.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.015 0.436 . . . . 0.0 111.83 176.144 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.04 -35.67 81.0 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.304 -0.959 . . . . 0.0 111.569 -175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -74.65 -30.94 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.823 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.09 90.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.463 0.649 . . . . 0.0 112.108 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.6 pt -76.48 -28.52 17.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.852 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -68.66 -11.11 59.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.9 -81.87 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.071 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -165.14 -50.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.854 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.6 172.37 4.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.152 -1.019 . . . . 0.0 112.587 -166.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 79.3 Cg_exo -59.85 140.13 91.62 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 C-N-CA 121.948 1.766 . . . . 0.0 114.158 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -144.76 112.55 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 52' ' ' VAL . 30.7 tp -83.04 125.7 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.914 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 10' ' ' PHE . 89.6 t -103.57 127.7 57.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 C-N-CA 119.234 -0.986 . . . . 0.0 108.406 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' HD13 ' A' ' 75' ' ' LEU . 8.1 m-20 -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 31.3 m-85 -89.8 126.8 35.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -155.0 177.82 10.89 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.848 -171.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.59 154.9 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.889 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.03 -33.73 70.6 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.259 -0.976 . . . . 0.0 111.411 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -74.5 -10.78 59.89 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.967 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.8 t -66.43 138.58 57.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.115 0.959 . . . . 0.0 111.487 -175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.3 -57.35 1.78 Allowed Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.145 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.9 Cg_endo -74.97 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 120.169 1.985 . . . . 0.0 113.591 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 m -66.04 -20.53 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.164 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -71.29 -24.94 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.694 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.2 mtt -60.49 -52.35 65.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.898 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ptp -79.03 -2.0 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.59 -0.844 . . . . 0.0 113.086 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.52 -59.42 9.51 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 120.963 -1.086 . . . . 0.0 112.454 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -69.42 -22.07 34.17 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 121.568 1.596 . . . . 0.0 113.093 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 93' ' ' LYS . 46.3 t -64.29 -44.46 97.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.739 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.42 -30.84 60.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.133 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.362 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.48 -36.39 80.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.543 0.687 . . . . 0.0 111.092 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 17.2 t80 -69.39 -39.35 78.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.708 0.766 . . . . 0.0 112.331 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.58 -29.55 69.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.699 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.5 -5.44 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.628 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.09 -53.21 8.66 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.129 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -92.24 -48.77 6.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 167.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.03 32.67 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.626 0.727 . . . . 0.0 111.275 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.5 tppt? -154.16 -45.18 0.09 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.851 -0.74 . . . . 0.0 109.85 -171.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.67 145.47 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.268 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -125.19 89.05 2.98 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 170.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 5.2 m -80.58 100.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 119.205 -0.998 . . . . 0.0 108.463 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.76 -175.86 3.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.595 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -137.79 111.8 8.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.051 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -106.35 123.28 47.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -78.68 109.62 13.06 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.069 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.95 -18.0 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.439 -0.904 . . . . 0.0 112.456 -172.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.3 -36.16 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.292 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.92 -47.58 18.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.361 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -96.3 117.36 66.22 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.2 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -102.64 6.89 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 120.896 1.064 . . . . 0.0 113.906 -169.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -92.29 -39.66 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.869 -173.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 t -78.31 -28.03 47.35 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.069 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -62.92 -31.02 72.01 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 112.094 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -80.09 -29.16 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.593 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.4 -47.0 68.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.29 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.84 -21.06 16.52 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.347 -0.941 . . . . 0.0 112.641 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.69 88.58 0.56 Allowed Glycine 0 N--CA 1.461 0.348 0 C-N-CA 119.368 -1.396 . . . . 0.0 110.32 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mm -107.28 100.11 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -109.61 10.12 25.02 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.535 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.6 t -163.64 119.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.715 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.555 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.4 pp -100.64 150.81 37.31 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.563 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.72 141.4 29.47 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 122.918 -1.701 . . . . 0.0 111.877 5.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 88' ' ' ILE . 2.3 m -111.97 123.1 49.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.838 0.828 . . . . 0.0 108.887 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.9 mm? -105.26 127.51 52.98 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.5 mt -136.67 127.04 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.2 tm? -97.54 129.33 44.7 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.646 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 19' ' ' PRO . 91.8 m-85 -114.48 159.46 20.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.065 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -130.47 -72.92 0.56 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.654 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.64 57.48 0.43 Allowed Glycine 0 N--CA 1.462 0.387 0 C-N-CA 119.428 -1.368 . . . . 0.0 111.026 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.76 41.35 83.51 Favored Glycine 0 N--CA 1.462 0.367 0 C-N-CA 119.691 -1.242 . . . . 0.0 111.991 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.6 122.73 1.45 Allowed Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.03 123.86 8.18 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.217 1.278 . . . . 0.0 110.052 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.33 -39.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.865 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -145.41 151.01 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.353 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -130.24 113.53 14.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.894 0.854 . . . . 0.0 109.418 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.99 150.13 51.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.113 0.958 . . . . 0.0 108.609 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.65 168.39 18.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 122.12 0.962 . . . . 0.0 110.778 -167.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.69 177.12 51.81 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.795 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.78 124.22 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.203 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -128.04 127.51 23.84 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -47.74 164.2 0.17 Allowed 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 122.086 1.857 . . . . 0.0 114.918 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HB2' HG13 ' A' ' 38' ' ' VAL . 31.4 ttpt -63.57 -29.24 70.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.517 174.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -68.39 -38.22 81.13 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.904 -0.719 . . . . 0.0 111.027 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -64.58 -43.3 94.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.114 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.1 mt -62.03 -49.02 77.67 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.661 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.1 -38.87 92.91 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.297 -0.961 . . . . 0.0 112.16 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.18 80.21 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.579 -0.849 . . . . 0.0 111.048 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -58.57 -52.42 65.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -73.88 -35.32 64.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.376 -0.93 . . . . 0.0 112.473 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.72 -27.46 67.93 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 120.73 -1.231 . . . . 0.0 112.598 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.82 -45.29 75.12 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.272 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.471 HG21 ' HG ' ' A' ' 77' ' ' LEU . 29.4 m -83.82 -24.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 49' ' ' LYS . 95.9 mt -75.43 -40.4 57.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.823 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.239 179.113 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 122.211 1.005 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -87.61 163.63 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.056 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.7 m -132.98 118.95 19.46 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.379 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.31 172.64 6.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.815 1.293 . . . . 0.0 110.178 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.6 t -154.12 158.2 40.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.3 p-10 -34.91 -45.87 0.28 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.95 6.36 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.439 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -67.93 -28.55 67.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -51.26 -51.33 55.11 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -67.62 -34.86 77.85 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.599 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.23 71.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.323 0.582 . . . . 0.0 112.159 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.2 pt -76.83 -28.29 17.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.274 -173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.99 -14.3 61.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.56 -87.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.898 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.16 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.137 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.28 142.09 97.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.921 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -41.4 125.66 2.7 Favored 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 122.07 1.847 . . . . 0.0 114.151 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.94 115.97 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 21' ' ' LEU . 8.2 tt -86.48 112.2 21.29 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.3 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.62 126.97 41.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.259 -0.976 . . . . 0.0 108.499 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.51 107.37 19.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.4 125.64 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -149.76 170.05 19.64 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.48 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.87 46.23 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.411 173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -30.27 66.9 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.289 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -82.35 -9.65 59.38 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.688 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 72' ' ' ILE . 6.9 t -68.92 141.07 55.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.219 1.009 . . . . 0.0 111.466 -175.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.51 -60.2 1.65 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.856 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 65.0 Cg_endo -72.91 -5.05 16.49 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 CA-C-N 119.716 1.758 . . . . 0.0 113.894 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -70.83 -25.17 62.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.369 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.88 -26.34 64.13 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.327 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.6 mtp -66.88 -29.16 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.332 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.573 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 13.5 mtp -77.84 -16.61 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.577 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -49.68 -53.62 39.72 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 60.6 Cg_endo -70.79 -36.49 7.99 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 CA-C-N 121.641 1.622 . . . . 0.0 113.62 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.8 -36.36 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.306 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -74.13 -30.25 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.688 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.2 -38.22 78.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.282 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.67 -30.31 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.182 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 29.6 t80 -79.37 -40.52 29.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.453 0.644 . . . . 0.0 112.318 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.91 74.72 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.851 -0.739 . . . . 0.0 111.558 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -85.65 -10.65 55.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.782 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -57.06 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.307 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' HB2' HG12 ' A' ' 50' ' ' VAL . 88.9 m-70 -90.22 -58.61 2.44 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.814 -0.754 . . . . 0.0 108.989 -177.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.04 -69.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.8 27.93 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.692 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.4 tppt? -145.35 -40.7 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.475 -171.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 46' ' ' HIS . 12.0 p -115.96 139.36 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.704 0.764 . . . . 0.0 110.279 -174.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 m -104.87 106.42 16.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.21 96.66 6.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.64 -178.73 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.027 0.918 . . . . 0.0 111.786 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -140.57 111.18 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.054 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.25 121.36 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -84.16 115.36 22.37 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.708 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.13 -18.88 19.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.389 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.6 -44.97 40.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.294 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.33 -39.39 62.88 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.556 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -116.05 95.74 45.36 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.57 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -93.44 3.79 3.2 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.183 1.256 . . . . 0.0 113.532 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.19 -40.01 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.445 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 t -79.44 -28.78 41.65 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.051 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -66.74 -35.07 79.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.672 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.3 t -79.08 -29.19 43.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.323 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.13 -48.88 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.099 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -80.41 -36.59 33.58 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.693 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.63 77.21 1.31 Allowed Glycine 0 N--CA 1.461 0.312 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.1 121.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.831 0.824 . . . . 0.0 109.011 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.43 -51.2 68.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.065 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -170.42 127.45 0.8 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.409 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 72' ' ' ILE . 2.0 pp -73.08 145.56 86.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.755 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 90.4 Cg_endo -80.18 141.38 57.18 Favored 'Cis proline' 0 C--N 1.324 -0.732 0 C-N-CA 123.071 -1.637 . . . . 0.0 111.26 2.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -124.33 124.03 41.5 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.91 127.25 53.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.251 -0.979 . . . . 0.0 109.68 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.79 129.89 55.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -96.52 124.54 40.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.815 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -111.36 135.77 51.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.079 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.83 -76.03 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.873 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.85 50.89 0.74 Allowed Glycine 0 N--CA 1.463 0.436 0 C-N-CA 119.524 -1.322 . . . . 0.0 110.55 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.62 43.99 11.3 Favored Glycine 0 N--CA 1.46 0.289 0 C-N-CA 119.733 -1.222 . . . . 0.0 111.086 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -158.36 119.27 1.9 Allowed Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.84 119.63 5.48 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.143 1.229 . . . . 0.0 110.8 -173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.75 -41.63 21.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -143.33 155.89 44.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.241 1.019 . . . . 0.0 110.061 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -140.3 108.42 5.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.845 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.4 pt? -122.74 153.01 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.94 167.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 122.13 0.967 . . . . 0.0 111.245 -167.242 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.36 175.43 44.82 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.95 -1.119 . . . . 0.0 110.323 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -73.92 123.68 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.598 -1.241 . . . . 0.0 108.844 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.45 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.6 pt20 -127.38 112.51 21.23 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.112 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -61.63 175.71 1.57 Allowed 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 121.41 1.407 . . . . 0.0 112.775 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.05 -29.3 68.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.539 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.49 -29.76 70.46 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.188 -1.005 . . . . 0.0 111.325 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.33 -42.0 23.76 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.958 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.89 -51.96 67.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.547 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -45.04 82.63 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.547 -168.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.77 76.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.076 0.941 . . . . 0.0 110.908 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.32 -45.83 87.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.127 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 103' ' ' VAL . 61.6 mt -85.71 -25.33 26.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -169.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.29 68.1 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.808 -1.182 . . . . 0.0 111.627 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.74 -44.6 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.654 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.1 m -86.81 -27.34 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD22 ' HG3' ' A' ' 49' ' ' LYS . 85.1 mt -74.36 -29.54 61.61 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.574 -0.85 . . . . 0.0 112.02 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.864 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 122.155 0.978 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -94.07 164.25 13.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.782 176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 m -131.39 116.78 17.99 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.216 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mp -104.47 169.56 8.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.986 1.374 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -153.58 166.95 31.16 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -38.45 -44.34 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.35 8.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.446 -0.784 . . . . 0.0 112.414 -174.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.74 -27.24 66.62 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.156 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 5' ' ' LEU . 66.6 t80 -55.52 -47.25 76.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.186 0.517 . . . . 0.0 112.207 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.38 -35.61 81.45 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.449 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.27 -26.8 52.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.973 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.71 51.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.311 0.577 . . . . 0.0 112.178 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 pt -74.92 -25.78 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.403 -174.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -74.57 -10.87 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.53 -87.64 0.02 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.253 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.33 -69.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -78.31 167.94 31.46 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.141 -169.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.81 136.35 65.45 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.955 1.77 . . . . 0.0 113.845 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -132.44 114.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 21' ' ' LEU . 9.6 tt -85.61 117.44 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.015 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.95 131.19 37.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HA ' HD22 ' A' ' 75' ' ' LEU . 2.5 m-20 -103.45 106.22 16.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -82.69 122.15 27.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -152.84 175.8 12.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.58 -0.848 . . . . 0.0 109.184 -170.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.87 44.77 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.619 172.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.48 63.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.607 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -85.81 -2.29 58.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.527 173.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.4 t -64.28 154.52 34.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.285 1.041 . . . . 0.0 111.834 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.536 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -100.51 -64.87 0.8 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.972 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.6 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 CA-C-N 119.23 1.515 . . . . 0.0 114.187 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 m -68.58 -29.51 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.948 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.23 -27.94 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.1 -0.64 . . . . 0.0 112.036 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.22 -45.54 87.8 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.074 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -85.48 1.7 47.74 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.056 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.07 -52.45 52.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 121.141 -0.974 . . . . 0.0 112.797 173.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 73.4 Cg_endo -73.52 -23.32 17.36 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-N 121.484 1.566 . . . . 0.0 113.975 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.3 m -73.62 -35.9 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.864 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.61 -38.15 90.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.56 -41.41 88.68 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.689 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.67 -29.15 70.42 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.084 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 15.7 t80 -76.55 -43.08 40.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.635 0.731 . . . . 0.0 112.166 -173.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.84 69.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.461 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.95 -5.45 53.11 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.75 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.25 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.408 -0.807 . . . . 0.0 110.079 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.452 ' HB2' HG12 ' A' ' 50' ' ' VAL . 76.5 m-70 -89.06 -51.37 5.64 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.794 -0.762 . . . . 0.0 108.945 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.43 -79.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 168.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -81.47 26.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.754 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.9 tppt? -141.29 -40.89 0.38 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.697 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.9 p -110.2 140.58 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.702 0.763 . . . . 0.0 110.198 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 m -110.21 107.58 17.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 168.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.31 94.66 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.9 -179.44 4.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.0 0.905 . . . . 0.0 111.661 -169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.52 114.32 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.768 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.58 125.13 49.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -83.71 125.31 31.75 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.3 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.54 -26.23 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.853 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -79.32 -45.18 20.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.944 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.92 -40.75 46.15 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.92 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -111.52 104.84 56.53 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.855 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -93.26 -6.71 2.66 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.234 1.289 . . . . 0.0 113.908 -170.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -79.77 -44.84 19.92 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.536 -171.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -30.72 31.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.874 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -67.52 -32.21 72.85 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.587 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -80.06 -30.23 39.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.577 -0.849 . . . . 0.0 111.219 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.57 -47.0 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.329 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.42 -33.6 32.08 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.46 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.08 71.76 1.25 Allowed Glycine 0 N--CA 1.46 0.292 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mm -83.34 106.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.1 mtt -86.05 -25.86 25.67 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.457 -175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -156.93 115.02 3.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.715 -1.194 . . . . 0.0 110.755 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.598 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -82.05 146.35 55.11 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.816 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.5 130.68 16.52 Favored 'Cis proline' 0 C--N 1.325 -0.67 0 C-N-CA 123.129 -1.613 . . . . 0.0 111.536 4.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.3 m -106.31 116.75 32.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 23' ' ' ASP . 12.7 mt -102.72 126.46 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.707 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.53 126.68 58.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -94.15 125.09 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.634 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.36 146.79 32.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -106.47 -75.11 0.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.907 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.86 56.94 0.5 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.494 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.53 43.73 35.83 Favored Glycine 0 N--CA 1.461 0.347 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.206 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.46 122.38 1.77 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -176.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.74 122.2 8.33 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.25 1.3 . . . . 0.0 111.001 -174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.56 -58.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.171 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -145.54 167.79 22.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 0.0 109.926 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -139.93 117.1 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.285 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.427 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -127.56 151.66 48.61 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 167.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -137.94 166.49 23.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.29 -165.672 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -175.35 47.79 Favored Glycine 0 N--CA 1.46 0.263 0 C-N-CA 119.823 -1.179 . . . . 0.0 110.809 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -74.9 129.44 37.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.304 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.427 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.9 pt20 -133.14 120.06 15.95 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -54.77 163.15 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.541 1.494 . . . . 0.0 112.674 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -61.32 -29.02 69.62 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.151 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -73.3 -40.59 64.4 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.954 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -66.73 -37.06 83.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.335 1.064 . . . . 0.0 111.104 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 42.3 tp -71.84 -38.45 70.12 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.204 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.75 -45.32 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.82 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.835 0.826 . . . . 0.0 111.227 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.95 -48.34 73.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.802 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 55.4 mt -81.79 -21.81 37.51 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.674 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.88 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.436 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.07 -43.15 79.26 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.73 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 100' ' ' LEU . 28.5 m -83.11 -29.38 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.493 -0.883 . . . . 0.0 113.103 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' A' ' 49' ' ' LYS . 84.8 mt -76.73 -30.11 56.48 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.239 -173.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.142 -179.238 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 122.158 0.98 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -93.69 164.56 13.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.179 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 m -134.56 118.23 17.04 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.66 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.56 174.86 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.843 1.306 . . . . 0.0 110.065 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.5 t -159.06 160.82 36.24 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.9 p-10 -34.28 -50.66 0.42 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -170.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.13 -45.6 12.82 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.59 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.77 -25.86 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.18 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.24 -47.45 72.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.32 -39.57 85.88 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.237 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -68.0 -35.56 78.51 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.711 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.31 0.576 . . . . 0.0 112.138 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.6 pt -77.07 -27.94 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.916 -0.714 . . . . 0.0 112.415 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.82 -10.69 60.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.62 -89.57 0.02 OUTLIER Glycine 0 N--CA 1.461 0.349 0 C-N-CA 119.809 -1.186 . . . . 0.0 112.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.1 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.004 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.19 161.09 80.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.52 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.15 136.37 72.96 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.744 1.629 . . . . 0.0 112.194 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.29 109.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 100' ' ' LEU . 1.1 tt -86.23 110.14 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.518 -1.273 . . . . 0.0 108.334 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' HD23 ' A' ' 21' ' ' LEU . 88.5 t -83.51 125.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 119.389 -0.924 . . . . 0.0 109.139 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.49 104.39 16.42 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -81.52 121.37 26.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -149.59 179.73 7.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.802 0.811 . . . . 0.0 109.518 -171.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.69 158.29 43.8 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.112 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.8 65.43 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.037 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -81.93 -2.99 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.63 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD13 ' A' ' 72' ' ' ILE . 18.2 t -65.46 141.84 58.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.383 1.087 . . . . 0.0 112.044 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.97 -59.73 1.75 Allowed Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.829 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 68.7 Cg_endo -73.96 -13.0 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 119.806 1.803 . . . . 0.0 113.797 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.1 m -68.62 -24.96 64.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.271 -0.971 . . . . 0.0 111.144 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.74 -29.03 70.0 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.278 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.67 -45.11 91.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.914 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 3.4 ptm -86.96 3.05 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.599 -0.84 . . . . 0.0 113.248 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.14 -52.64 63.91 Favored Pre-proline 0 C--N 1.322 -0.604 0 O-C-N 120.743 -1.223 . . . . 0.0 111.727 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 96.2 Cg_endo -77.3 -26.74 7.16 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 CA-C-N 121.275 1.491 . . . . 0.0 113.505 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -34.53 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.238 -0.914 . . . . 0.0 111.173 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.92 -33.29 63.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -65.41 -37.18 86.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.802 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.92 -35.39 80.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.715 0.769 . . . . 0.0 110.869 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 39.0 t80 -74.16 -44.51 53.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.487 0.66 . . . . 0.0 112.509 -174.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.18 66.96 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.819 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.59 -33.59 60.59 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.884 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -55.07 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.584 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.6 m-70 -85.03 -54.12 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.361 -176.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.74 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 169.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -85.9 36.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.993 0.901 . . . . 0.0 110.597 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -146.83 -39.57 0.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.557 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.3 p -110.03 144.12 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 0.0 109.924 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 m -109.9 101.65 10.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -85.16 95.49 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.73 -179.1 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.795 0.807 . . . . 0.0 111.729 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -142.78 115.11 8.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.209 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.02 127.34 53.71 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.94 116.71 23.51 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.356 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.8 -17.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.06 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.14 -45.96 17.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.731 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.99 -38.51 52.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.897 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -109.98 107.32 58.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.299 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -95.06 -6.9 1.77 Allowed 'Trans proline' 0 C--N 1.327 -0.577 0 C-N-CA 121.185 1.256 . . . . 0.0 113.859 -169.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.79 -44.98 16.23 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.341 -0.943 . . . . 0.0 112.238 -170.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -80.8 -27.29 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.798 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -69.94 -30.47 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.393 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -80.18 -34.39 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.905 174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.72 -45.16 95.32 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.46 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.6 -31.21 18.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.437 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.6 68.96 1.36 Allowed Glycine 0 N--CA 1.46 0.278 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.259 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.84 105.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.8 mtt -91.53 -24.75 19.53 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.449 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -146.02 103.82 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.484 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.644 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -78.23 150.43 77.28 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.503 173.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.38 146.05 76.03 Favored 'Cis proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.173 -1.595 . . . . 0.0 110.823 1.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.406 HG23 HG22 ' A' ' 88' ' ' ILE . 16.6 m -125.45 124.26 41.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.102 0.953 . . . . 0.0 109.263 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.22 122.55 44.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mt -135.06 130.84 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.041 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.88 130.89 38.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' N ' HD13 ' A' ' 77' ' ' LEU . 93.1 m-85 -121.09 131.88 54.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -106.62 -68.38 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.068 -1.053 . . . . 0.0 110.353 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.13 50.15 0.81 Allowed Glycine 0 N--CA 1.462 0.392 0 C-N-CA 119.591 -1.29 . . . . 0.0 111.021 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.03 44.3 12.16 Favored Glycine 0 N--CA 1.461 0.367 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.671 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -165.38 126.16 1.34 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 C-N-CA 121.268 1.312 . . . . 0.0 110.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.64 -51.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.605 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.76 161.85 37.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.993 0.901 . . . . 0.0 109.643 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -141.27 118.41 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.935 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -124.68 159.06 31.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 171.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.511 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.02 156.48 25.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.97 0.891 . . . . 0.0 110.781 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.19 -168.89 31.47 Favored Glycine 0 N--CA 1.462 0.385 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.609 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -81.48 132.75 35.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.305 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.451 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -132.53 114.03 14.37 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.42 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -57.79 171.47 1.5 Allowed 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 121.974 1.783 . . . . 0.0 113.384 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.91 -25.51 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.886 172.604 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.97 -36.94 85.18 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.549 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -79.56 -39.99 30.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.11 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mm? -58.34 -56.75 18.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.455 174.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.795 -169.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.33 86.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.955 0.883 . . . . 0.0 111.192 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.609 HE21 HD22 ' A' ' 87' ' ' LEU . 4.9 tp60 -62.3 -47.24 85.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.077 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 21' ' ' LEU . 3.9 mm? -73.99 -28.86 61.67 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.612 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.13 68.38 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 120.847 -1.158 . . . . 0.0 111.969 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.66 -41.11 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.685 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.452 HG21 ' HG ' ' A' ' 77' ' ' LEU . 33.7 m -84.67 -31.51 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.729 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.07 -29.81 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.944 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.919 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p . . . . . 0 N--CA 1.463 0.179 0 CA-C-O 122.028 0.918 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 tpt -91.02 162.77 14.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.1 m -130.69 113.15 13.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.94 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.49 170.75 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.262 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.68 159.49 43.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.6 p-10 -38.06 -43.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.509 -0.744 . . . . 0.0 112.194 -175.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.26 -30.52 71.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.342 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.84 -52.98 21.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.307 0.575 . . . . 0.0 112.42 175.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.771 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -77.88 -34.62 51.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.277 -0.969 . . . . 0.0 111.232 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.18 82.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 pt -72.47 -23.49 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.091 -0.643 . . . . 0.0 112.645 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -76.33 -13.71 60.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.28 -85.0 0.02 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.962 -173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.24 -58.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 118.799 -1.161 . . . . 0.0 112.046 -175.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 172.89 4.43 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.697 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -55.94 139.44 84.53 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 C-N-CA 121.763 1.642 . . . . 0.0 113.986 -177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -134.08 113.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 tp -87.4 114.84 24.37 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.345 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.3 t -97.32 130.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 118.784 -1.167 . . . . 0.0 108.665 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 117.56 34.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -94.34 118.85 32.22 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -150.8 173.11 14.6 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.795 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.56 153.69 48.71 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.305 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.808 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -86.7 1.79 50.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.54 ' SG ' HD13 ' A' ' 72' ' ' ILE . 8.3 t -72.96 146.0 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.334 1.064 . . . . 0.0 111.914 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.56 -59.78 1.5 Allowed Glycine 0 CA--C 1.521 0.46 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.833 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.43 -6.66 16.5 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 119.672 1.736 . . . . 0.0 113.787 -172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 m -70.4 -24.32 62.92 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.091 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -63.75 -27.07 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.67 -44.97 94.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.738 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.542 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.8 ptm -85.01 4.75 32.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.49 -49.99 51.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 173.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 71.9 Cg_endo -77.0 -30.23 4.61 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 121.591 1.604 . . . . 0.0 113.934 -176.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.37 -33.8 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 118.687 -1.205 . . . . 0.0 110.734 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -63.11 -34.72 78.21 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.22 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.13 -30.27 67.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.203 173.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 19.0 t80 -72.79 -45.82 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.494 0.664 . . . . 0.0 112.371 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.66 69.62 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.273 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -80.91 -10.26 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.311 -0.956 . . . . 0.0 111.841 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.36 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.442 -0.786 . . . . 0.0 110.724 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 86.8 m-70 -85.13 -51.07 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.258 -177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.22 -84.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 168.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.8 35.29 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.935 0.874 . . . . 0.0 111.264 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 15.7 tppt? -144.91 -44.26 0.23 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -170.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.73 166.26 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.588 1.185 . . . . 0.0 111.308 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -127.15 91.47 3.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 165.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -81.15 93.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.32 174.25 6.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.807 0.813 . . . . 0.0 111.3 -170.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -133.32 113.01 12.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.666 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -114.39 127.09 55.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -84.42 120.76 26.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.818 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.1 -23.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 119.512 -0.875 . . . . 0.0 112.203 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.25 -43.26 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.947 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.16 -36.79 29.76 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.784 -0.766 . . . . 0.0 112.18 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -113.75 102.21 54.58 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.402 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -97.07 -9.4 0.74 Allowed 'Trans proline' 0 C--N 1.326 -0.615 0 C-N-CA 120.99 1.127 . . . . 0.0 114.144 -169.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.35 -43.22 28.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.098 -1.041 . . . . 0.0 112.063 -172.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.6 t -77.41 -36.8 52.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.237 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 t -67.93 -30.18 69.44 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.5 t -79.62 -32.13 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.081 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -64.07 -43.27 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.205 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -81.68 -36.59 28.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.75 72.15 1.12 Allowed Glycine 0 N--CA 1.459 0.223 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.009 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.0 88.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 74.8 mtm -85.78 -11.84 52.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.608 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -148.4 87.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.815 -174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.54 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -70.37 147.62 95.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.865 171.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.78 146.5 81.76 Favored 'Cis proline' 0 C--N 1.324 -0.721 0 C-N-CA 123.409 -1.496 . . . . 0.0 111.74 3.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 HG22 ' A' ' 88' ' ' ILE . 15.5 m -138.96 126.04 21.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 35' ' ' MET . 18.3 mt -109.96 140.85 43.5 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.592 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.402 HG12 ' HG3' ' A' ' 86' ' ' GLN . 50.5 mt -134.69 125.24 45.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.81 125.32 41.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.294 -0.963 . . . . 0.0 108.653 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -107.59 137.32 45.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -106.65 -67.29 0.95 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.524 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.47 55.38 0.55 Allowed Glycine 0 N--CA 1.462 0.401 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.65 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.98 39.76 45.36 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.826 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -163.93 132.02 2.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.4 119.1 5.12 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.307 1.338 . . . . 0.0 110.522 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.54 -46.51 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.43 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -148.24 117.09 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.026 0.917 . . . . 0.0 108.976 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.402 ' HG3' HG12 ' A' ' 76' ' ' ILE . 38.7 tt0 -99.38 101.86 13.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.758 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.708 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.3 pt? -96.46 148.25 22.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.27 157.08 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.982 0.896 . . . . 0.0 110.645 -168.512 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.78 -165.89 38.81 Favored Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.582 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -78.19 120.35 22.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.193 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.542 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -117.47 108.85 42.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -58.04 172.66 1.16 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 121.866 1.711 . . . . 0.0 113.405 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.69 -38.84 70.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.211 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -64.06 -31.14 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.36 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.42 -42.92 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.562 173.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.649 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -54.35 -52.85 60.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.912 174.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.1 -40.85 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.453 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.25 76.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.882 0.848 . . . . 0.0 110.972 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.016 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.1 mt -90.22 -30.19 17.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -167.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.41 70.53 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.753 -1.217 . . . . 0.0 111.439 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.62 -44.09 91.64 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.352 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.62 -26.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD22 ' HG3' ' A' ' 49' ' ' LYS . 88.1 mt -76.74 -28.36 55.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.58 -173.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.708 -178.546 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 121.978 0.894 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ttt -97.42 161.34 13.83 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.797 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -135.37 121.14 19.63 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.106 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.13 175.5 5.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.531 1.158 . . . . 0.0 110.129 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.2 t -157.28 159.18 37.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' THR . 17.8 p-10 -36.46 -44.74 0.45 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.79 -48.75 11.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.458 -0.776 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -70.98 -29.98 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.12 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -48.81 -45.39 40.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.756 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.53 -32.24 70.14 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.332 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -49.78 36.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.323 0.582 . . . . 0.0 112.143 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 pt -74.25 -26.02 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.926 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -72.1 -7.94 51.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.85 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.461 0.343 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.108 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -147.89 -53.34 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.911 -1.116 . . . . 0.0 112.531 -173.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 16.0 ptpt -133.97 -177.63 0.73 Allowed Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.68 -169.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 22.2 Cg_exo -52.58 135.69 56.12 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.167 1.911 . . . . 0.0 116.075 -173.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.19 121.61 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -82.16 134.34 35.31 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.36 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.58 128.63 66.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 75' ' ' LEU . 1.1 m-20 -102.53 111.76 24.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -86.08 116.63 24.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -146.28 175.65 10.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.763 -169.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.17 153.32 43.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.35 69.14 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.97 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -82.64 1.33 38.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.66 132.67 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.316 1.055 . . . . 0.0 111.899 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -75.36 -61.76 2.9 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.405 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 54.4 Cg_endo -67.75 -15.54 44.48 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 CA-C-N 119.774 1.787 . . . . 0.0 114.227 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 15.9 m -68.17 -14.58 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.702 174.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.94 -39.26 77.64 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.783 -0.573 . . . . 0.0 112.436 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.3 mtp -67.34 -41.89 84.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.572 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 56.0 mtp -74.76 -9.19 58.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.9 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -51.32 -56.26 21.9 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 94.6 Cg_endo -75.75 -28.26 8.14 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 CA-C-N 121.623 1.615 . . . . 0.0 113.906 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.78 -32.63 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.723 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.85 -36.03 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.281 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.0 -45.28 89.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.678 175.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.22 -29.51 70.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.36 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 17.0 t80 -66.84 -43.0 84.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.57 0.7 . . . . 0.0 111.945 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -27.16 67.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.905 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -89.58 -10.36 46.33 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.842 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.59 -56.5 3.98 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.701 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.0 -44.62 16.43 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.11 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 73.32 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 168.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.84 -37.2 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.173 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.3 tppt? -65.05 -31.04 72.07 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.927 -0.709 . . . . 0.0 111.903 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.3 151.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.742 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -123.75 104.49 9.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 t -84.54 95.92 4.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.33 -175.46 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.802 0.811 . . . . 0.0 110.624 -173.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -142.28 119.0 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.858 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.75 122.59 40.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 171.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.75 126.45 32.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.887 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.94 -33.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.744 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.73 -35.58 79.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.965 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.33 -51.59 6.86 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.937 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -102.4 116.39 62.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.314 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -101.51 -11.46 0.19 Allowed 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 114.71 1.004 . . . . 0.0 114.71 -167.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.24 -40.31 21.79 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.142 -1.023 . . . . 0.0 112.995 -170.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -80.55 -35.02 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.633 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -67.76 -29.28 68.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 t -81.53 -32.92 32.08 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.489 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.77 -45.55 93.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.31 -38.15 51.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.914 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.66 71.07 1.03 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.176 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.43 HD12 HG21 ' A' ' 74' ' ' THR . 26.3 mm -93.18 104.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.9 mtt -94.0 -21.03 19.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -152.19 113.74 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.138 -174.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -86.14 149.06 49.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.022 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 97.3 Cg_endo -82.02 154.83 78.66 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 123.194 -1.586 . . . . 0.0 112.443 5.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 88' ' ' ILE . 5.6 m -142.21 119.24 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.004 -175.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.1 mm? -99.46 131.43 45.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.115 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -139.7 129.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.27 139.55 31.42 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.96 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.86 137.72 52.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.784 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -92.71 -75.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.853 -1.139 . . . . 0.0 109.59 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.92 58.6 0.7 Allowed Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.739 -1.22 . . . . 0.0 110.847 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.43 41.07 6.23 Favored Glycine 0 N--CA 1.462 0.372 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.773 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.97 126.68 0.65 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.88 125.99 9.11 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.31 1.34 . . . . 0.0 110.783 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.99 -65.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.819 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -147.13 154.23 40.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.717 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -125.98 121.45 33.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.024 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 139.19 44.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.69 173.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.388 -165.103 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.95 -166.59 31.26 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 72.5 t80 -90.28 121.85 32.66 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.85 -1.14 . . . . 0.0 108.899 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.38 126.87 25.06 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 172.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.03 171.9 0.21 Allowed 'Trans proline' 0 CA--C 1.513 -0.537 0 C-N-CA 121.809 1.673 . . . . 0.0 113.152 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -54.92 -40.47 69.89 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.869 -0.733 . . . . 0.0 112.213 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -76.16 -37.23 58.19 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.58 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.89 -43.66 87.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.086 0.946 . . . . 0.0 110.522 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 39.6 tp -65.72 -47.82 74.03 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.668 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -61.4 -38.44 87.09 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.463 -0.895 . . . . 0.0 112.014 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 91.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.696 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -69.45 -37.49 77.37 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.738 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.8 -36.32 62.48 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.816 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.85 65.89 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.45 -0.9 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.27 -38.16 63.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.738 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.4 m -78.41 -25.18 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 121.434 -0.791 . . . . 0.0 112.941 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' ' 49' ' ' LYS . 74.4 mt -77.88 -24.76 48.35 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.989 -172.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.756 178.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 122.275 1.036 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -96.61 160.59 14.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.613 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -137.4 115.91 12.0 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.046 175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.46 175.91 5.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.811 1.291 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 t -157.82 152.98 25.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -33.35 -47.28 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -168.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.88 -47.61 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.255 -0.903 . . . . 0.0 112.465 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -71.02 -27.89 64.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.105 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -52.5 -50.87 61.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.202 0.525 . . . . 0.0 112.036 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -68.06 -39.7 82.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.003 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -63.96 -33.65 76.2 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.532 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.61 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.817 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.72 -26.2 21.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.535 -172.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -71.86 -18.47 62.06 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.862 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -90.62 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 C-N-CA 119.461 -1.352 . . . . 0.0 112.001 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.51 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.154 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.48 131.89 95.22 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.895 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.66 133.21 43.74 Favored 'Trans proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.929 1.753 . . . . 0.0 113.304 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.16 121.02 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -83.05 121.57 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.638 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -95.77 135.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.533 174.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.62 108.11 16.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -85.82 127.09 34.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -154.66 176.3 12.59 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.186 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.24 153.77 43.14 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.103 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.7 -24.21 59.9 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.832 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -89.9 -4.2 57.66 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.126 -0.63 . . . . 0.0 112.501 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.93 142.92 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.51 1.148 . . . . 0.0 112.16 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.52 -60.16 1.84 Allowed Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.709 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 41.9 Cg_endo -65.38 -16.33 53.85 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 119.932 1.866 . . . . 0.0 113.952 -177.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -74.13 -18.72 60.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.221 -0.924 . . . . 0.0 111.734 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 33' ' ' ARG . 38.7 mtp180 -60.51 -31.54 70.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.9 mtp -79.38 -30.16 42.39 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.695 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.3 mtp -74.38 -8.54 56.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.61 -0.836 . . . . 0.0 113.032 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.94 -55.89 28.95 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 60.8 Cg_endo -72.73 -21.2 21.96 Favored 'Trans proline' 0 C--N 1.328 -0.508 0 CA-C-N 121.619 1.614 . . . . 0.0 114.51 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.37 -33.87 11.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.709 -1.245 . . . . 0.0 111.151 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.61 -38.72 70.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.64 -38.63 91.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.474 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.78 -26.49 66.12 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.509 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.2 t80 -72.14 -41.99 66.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.622 0.725 . . . . 0.0 112.058 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.98 -26.65 66.03 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.801 -0.759 . . . . 0.0 111.584 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -84.29 -15.22 47.46 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.259 -0.977 . . . . 0.0 111.751 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.92 -56.77 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.581 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' HB2' HG12 ' A' ' 50' ' ' VAL . 83.6 m-70 -84.99 -39.82 17.61 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.541 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.56 -98.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 167.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -88.55 20.05 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.086 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -110.45 -43.77 3.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.8 p -107.25 128.66 62.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.545 0.688 . . . . 0.0 109.269 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -92.75 100.93 13.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.2 92.59 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.13 178.61 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 0.0 110.381 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -141.7 117.04 10.14 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.799 -170.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -117.38 120.48 38.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -83.03 118.42 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.606 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.44 -24.02 27.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.228 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -73.48 -38.57 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.758 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.57 -52.67 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.258 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.25 124.83 52.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.482 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -101.85 -21.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.328 -0.538 0 N-CA-C 114.539 0.938 . . . . 0.0 114.539 -167.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -83.26 -36.96 24.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.895 -1.122 . . . . 0.0 113.311 -168.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -73.95 -29.54 62.06 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.914 -173.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.435 ' HA ' HG12 ' A' ' 69' ' ' ILE . 9.8 t -70.07 -33.54 72.05 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.344 -0.943 . . . . 0.0 111.978 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -82.06 -28.54 32.36 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.935 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.22 -46.21 71.18 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.506 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -83.88 -30.15 26.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.263 -0.975 . . . . 0.0 112.88 -174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.69 76.03 1.2 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -168.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 64' ' ' THR . 37.8 mm -69.22 120.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.471 ' HB2' HG21 ' A' ' 88' ' ' ILE . 94.5 mtp -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.049 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' MET . 37.1 t 174.5 128.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 72' ' ' ILE . 2.0 pp -64.53 140.08 97.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 118.365 -1.334 . . . . 0.0 108.485 174.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.27 131.53 23.02 Favored 'Cis proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.549 -1.438 . . . . 0.0 111.685 5.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 88' ' ' ILE . 21.5 m -122.49 118.57 28.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.69 124.42 51.19 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.453 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.8 mt -138.2 128.45 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.014 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tt -92.99 137.35 32.44 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.278 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -118.2 144.76 45.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.787 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -118.93 -63.44 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.604 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.36 52.63 0.8 Allowed Glycine 0 N--CA 1.463 0.452 0 C-N-CA 119.488 -1.339 . . . . 0.0 110.93 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.03 45.97 18.25 Favored Glycine 0 N--CA 1.462 0.374 0 C-N-CA 119.735 -1.221 . . . . 0.0 111.088 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -166.08 120.96 0.91 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 -173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.93 114.07 3.45 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.256 1.304 . . . . 0.0 110.337 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.5 t -68.04 -52.2 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.914 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.59 156.59 45.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.113 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -138.35 112.65 8.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.112 -173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -140.41 155.55 46.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.005 0.907 . . . . 0.0 109.374 169.717 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -143.4 -175.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.443 -165.321 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.58 -171.32 55.15 Favored Glycine 0 N--CA 1.462 0.428 0 C-N-CA 119.945 -1.121 . . . . 0.0 111.284 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -80.35 127.46 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.216 -1.393 . . . . 0.0 108.48 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.679 HE22 HD13 ' A' ' 87' ' ' LEU . 10.1 pt20 -137.55 124.57 13.7 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 89.6 Cg_exo -55.9 173.97 0.35 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 121.429 1.419 . . . . 0.0 113.544 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.73 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.337 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.69 -33.9 77.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.366 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -70.11 -38.66 75.68 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.867 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.3 mt -67.27 -46.22 74.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.09 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.005 -171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.31 74.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.982 0.896 . . . . 0.0 110.951 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.468 ' HG2' HD21 ' A' ' 87' ' ' LEU . 6.8 tp-100 -59.87 -51.28 70.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 78.3 mt -82.0 -27.71 32.99 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.848 -167.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -28.03 69.74 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.921 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -75.5 -36.68 60.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.985 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 100' ' ' LEU . 11.2 m -76.96 -25.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.531 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.92 -26.49 60.54 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.026 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 171.937 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 122.391 1.091 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.5 tpt -97.32 166.35 11.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.322 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.3 m -132.74 118.09 18.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.963 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.35 169.76 8.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.77 1.271 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -159.54 154.47 24.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.82 -43.17 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -169.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.65 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.377 -0.827 . . . . 0.0 112.197 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -74.11 -28.81 61.53 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.356 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -49.58 -50.04 44.05 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.35 -42.31 83.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.376 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.1 -32.12 73.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.425 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.7 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.511 0.672 . . . . 0.0 111.667 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 pt -82.13 -19.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.168 -0.613 . . . . 0.0 112.238 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -74.88 -15.6 60.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.52 -86.37 0.03 OUTLIER Glycine 0 N--CA 1.463 0.437 0 C-N-CA 119.653 -1.261 . . . . 0.0 112.254 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -169.52 -50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.637 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -79.62 141.84 56.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.193 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -38.54 124.78 0.87 Allowed 'Trans proline' 0 C--N 1.326 -0.606 0 C-N-CA 122.529 2.152 . . . . 0.0 115.583 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.41 124.45 67.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.579 HD13 HD11 ' A' ' 100' ' ' LEU . 45.9 tp -84.63 135.49 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.549 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.27 130.21 67.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.74 111.42 24.13 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 73.0 m-85 -87.93 118.42 27.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -149.55 174.46 12.5 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.071 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.4 151.21 43.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.896 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.5 67.95 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.497 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.8 p-90 -82.46 8.89 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.7 t -78.07 144.92 36.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.554 1.168 . . . . 0.0 112.646 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.1 -56.49 2.05 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.911 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 80.2 Cg_endo -78.04 -7.07 16.21 Favored 'Trans proline' 0 C--N 1.327 -0.567 0 CA-C-N 119.933 1.867 . . . . 0.0 113.911 -173.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.66 -14.47 60.36 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.368 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -63.22 -29.78 71.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.836 -0.54 . . . . 0.0 111.75 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.7 mtt -63.54 -46.61 85.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.246 -0.582 . . . . 0.0 111.155 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 5.2 ptp -85.35 -3.96 59.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.87 -51.3 47.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.488 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 61.3 Cg_endo -73.16 -25.95 15.37 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 CA-C-N 120.876 1.349 . . . . 0.0 114.134 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.07 -39.25 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 120.179 -1.576 . . . . 0.0 110.778 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' SD ' ' A' ' 35' ' ' MET . 73.3 mt -71.27 -35.68 71.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.11 -34.81 73.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.826 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.02 -29.68 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.722 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.3 t80 -74.47 -40.05 62.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.438 0.637 . . . . 0.0 112.543 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.21 -32.56 72.86 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.522 -0.871 . . . . 0.0 111.183 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -94.53 6.51 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.531 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 -54.35 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.991 0.9 . . . . 0.0 109.217 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 72.7 m-70 -92.83 -52.46 4.6 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 70.93 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.391 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -84.95 44.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.201 1.0 . . . . 0.0 109.965 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -152.22 -51.65 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.4 m -92.6 152.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.408 1.099 . . . . 0.0 111.282 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -112.98 91.5 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 161.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.67 93.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.06 178.53 4.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.926 0.87 . . . . 0.0 110.897 -170.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -137.29 105.93 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.594 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.4 tm? -108.96 115.56 30.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -81.69 127.75 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.873 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 69' ' ' ILE . 29.4 m -71.42 -17.82 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.981 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.4 -39.57 53.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.999 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -86.73 -53.28 5.03 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.658 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -92.28 127.48 48.78 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.301 -170.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -98.6 -27.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.079 1.186 . . . . 0.0 114.026 -168.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.73 -44.58 20.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.632 -168.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 t -77.97 -31.97 51.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.075 -1.05 . . . . 0.0 111.453 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -68.08 -37.82 81.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.867 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 t -81.5 -31.16 32.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.718 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.61 -41.32 97.29 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.776 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.44 -30.46 25.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.587 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 68.71 1.17 Allowed Glycine 0 N--CA 1.459 0.221 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.287 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 74' ' ' THR . 17.7 mm -100.37 93.03 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.165 -176.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 62.2 mtt -123.69 39.27 4.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.508 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -161.65 70.75 0.35 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.776 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.695 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pp -74.38 144.25 80.91 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.595 176.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 95.2 Cg_endo -83.88 141.14 37.72 Favored 'Cis proline' 0 C--N 1.322 -0.82 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.342 7.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 88' ' ' ILE . 5.2 m -123.89 117.04 23.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.838 0.828 . . . . 0.0 109.377 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -99.74 124.96 45.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.93 124.97 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -94.34 134.85 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.232 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 78.2 m-85 -110.48 158.11 18.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.575 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -138.08 -66.02 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.13 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.08 63.52 0.44 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.65 -1.262 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 37.44 93.82 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 119.638 -1.267 . . . . 0.0 111.664 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -164.14 123.02 1.26 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -171.315 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 59.2 Cg_endo -70.7 119.92 6.69 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.42 1.413 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.1 -46.67 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.011 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.36 149.29 37.52 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.601 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -135.96 122.35 20.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.644 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.8 pt? -134.88 150.4 50.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.581 HG22 HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -136.63 164.82 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.975 0.893 . . . . 0.0 110.998 -165.381 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.91 -179.15 50.18 Favored Glycine 0 N--CA 1.461 0.36 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.38 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.56 139.52 58.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.306 1.05 . . . . 0.0 109.936 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' HG2' ' CE ' ' A' ' 35' ' ' MET . 8.9 pt20 -145.27 116.34 5.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.25 169.09 1.67 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.359 1.373 . . . . 0.0 113.957 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -54.63 -39.52 68.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.094 176.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.83 -28.58 69.09 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.146 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -71.74 -42.58 67.1 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.26 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -56.62 -50.51 71.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 119.696 -0.801 . . . . 0.0 110.996 174.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.77 -43.76 79.05 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.497 -0.881 . . . . 0.0 112.244 -169.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.24 82.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.002 0.906 . . . . 0.0 111.087 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -61.58 -46.37 90.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.382 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.579 HD11 HD13 ' A' ' 21' ' ' LEU . 3.1 mm? -79.26 -39.41 33.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.585 -0.846 . . . . 0.0 113.203 -173.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.75 69.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.857 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.98 -46.12 92.02 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.803 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.7 -26.0 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.5 mt -73.81 -16.06 61.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.15 -177.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 121.937 0.875 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ttt -107.72 162.67 13.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.2 m -131.76 117.87 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.095 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.25 169.35 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.909 1.338 . . . . 0.0 110.851 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -149.56 160.88 43.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.765 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -33.65 -48.83 0.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.19 -52.51 6.2 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.078 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -67.43 -29.02 68.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.374 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HE1' HG11 ' A' ' 22' ' ' VAL . 83.1 t80 -50.59 -51.08 51.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.992 0.425 . . . . 0.0 112.13 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 68.1 mt-30 -61.32 -49.99 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.629 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.33 -37.92 85.03 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.538 -0.865 . . . . 0.0 112.038 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.23 74.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.311 0.576 . . . . 0.0 112.436 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 pt -75.39 -34.03 29.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.611 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 91.5 mm-40 -68.38 -12.41 61.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.4 -88.52 0.03 OUTLIER Glycine 0 CA--C 1.52 0.399 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.034 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -165.98 -53.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.757 -1.177 . . . . 0.0 112.985 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -75.86 168.04 31.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.524 -167.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -60.76 134.47 54.1 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 121.823 1.682 . . . . 0.0 112.997 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -141.02 113.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -81.74 105.13 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.082 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG11 ' HE1' ' A' ' 10' ' ' PHE . 86.3 t -80.86 122.09 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 174.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.91 109.29 21.67 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -84.76 126.67 33.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -162.78 176.19 10.52 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.444 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.6 151.53 49.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 169.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.56 -25.35 64.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.287 -0.965 . . . . 0.0 112.231 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -87.79 -5.18 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.527 -0.733 . . . . 0.0 112.918 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.3 t -54.71 140.24 36.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.456 1.122 . . . . 0.0 112.962 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.5 -61.91 2.02 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.988 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.35 -16.28 35.06 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 CA-C-N 119.988 1.894 . . . . 0.0 113.469 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 5.9 m -69.11 -19.71 64.05 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.394 -0.922 . . . . 0.0 111.128 173.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.85 -34.72 76.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.225 0.536 . . . . 0.0 111.681 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.6 mtp -63.42 -53.16 56.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.125 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.401 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.6 ptm -84.65 2.62 40.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.39 -53.19 47.72 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 121.111 -0.993 . . . . 0.0 112.415 174.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 84.4 Cg_endo -73.85 -17.02 23.04 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.102 1.429 . . . . 0.0 114.174 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 m -78.27 -36.31 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 120.587 -1.321 . . . . 0.0 110.226 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -39.03 84.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.793 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.4 -45.82 85.98 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.787 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.77 -29.53 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.399 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.8 t80 -66.99 -46.15 75.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.536 0.684 . . . . 0.0 112.176 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.35 71.34 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.872 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.05 -17.57 46.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.801 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.29 -57.35 4.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.644 0.735 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -83.98 -49.6 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.38 -83.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 167.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -83.3 34.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.781 0.801 . . . . 0.0 111.465 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.0 tppt? -143.49 -48.26 0.3 Allowed 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.825 -172.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -102.83 135.73 38.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.778 0.799 . . . . 0.0 110.47 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -102.69 103.06 13.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.79 89.86 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.01 174.29 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.021 0.915 . . . . 0.0 110.998 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -140.24 107.01 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.491 -0.884 . . . . 0.0 109.892 -170.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.31 124.92 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -81.13 123.75 28.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.742 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 72' ' ' ILE . 8.1 p -72.95 -19.29 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.207 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -79.52 -45.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.348 -0.845 . . . . 0.0 110.9 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.69 -48.78 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.739 -174.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -96.35 120.9 61.6 Favored Pre-proline 0 C--N 1.324 -0.541 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.956 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -102.32 -14.54 0.12 Allowed 'Trans proline' 0 C--N 1.329 -0.488 0 C-N-CA 120.684 0.923 . . . . 0.0 114.286 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -81.05 -33.65 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.131 -1.028 . . . . 0.0 112.78 -170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.6 t -82.31 -33.34 29.06 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.627 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -66.75 -26.37 66.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.712 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -78.74 -31.57 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.372 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -65.94 -40.86 91.74 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.864 -0.735 . . . . 0.0 111.832 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -94.25 -38.06 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.67 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.22 77.52 1.37 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 -173.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -96.04 111.4 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 75.4 mtm -92.85 -23.51 18.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.122 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 t -155.02 137.75 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.665 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 HG11 ' A' ' 57' ' ' VAL . 1.2 pp -95.49 151.81 38.83 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.639 169.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 71.6 Cg_endo -83.89 146.62 52.55 Favored 'Cis proline' 0 C--N 1.324 -0.736 0 C-N-CA 122.936 -1.693 . . . . 0.0 111.721 4.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 mt -105.67 133.24 50.74 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.771 -1.171 . . . . 0.0 109.684 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.1 mt -138.86 131.0 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -98.82 130.15 45.24 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.208 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -117.09 144.08 45.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -101.56 -84.0 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.143 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.89 49.31 0.86 Allowed Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.462 -1.351 . . . . 0.0 112.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.04 33.49 7.73 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.416 -1.373 . . . . 0.0 112.981 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -155.49 126.76 3.63 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.76 116.32 4.68 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.212 1.275 . . . . 0.0 110.313 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.83 -58.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.537 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -146.84 153.88 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.426 1.108 . . . . 0.0 110.049 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -127.68 131.54 49.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.215 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.27 148.76 43.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.454 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.27 160.86 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.857 -169.41 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.79 -157.81 30.14 Favored Glycine 0 N--CA 1.46 0.273 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.543 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -90.74 125.44 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.746 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.94 118.49 19.58 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -46.82 163.19 0.13 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 122.431 2.088 . . . . 0.0 115.674 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -51.8 -43.59 63.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.027 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.56 -30.77 71.55 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.145 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -74.2 -33.44 63.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.084 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -60.18 -47.58 85.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.039 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.29 -41.29 89.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.818 -170.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.17 -53.24 40.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.177 0.989 . . . . 0.0 110.599 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -50.27 -44.74 53.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.531 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 83.6 mt -88.08 -21.97 24.42 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -169.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.25 77.61 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 120.722 -1.236 . . . . 0.0 112.089 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -42.0 86.78 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.456 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.563 HG21 ' HG ' ' A' ' 77' ' ' LEU . 34.2 m -80.89 -29.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 49' ' ' LYS . 65.3 mt -74.73 -39.65 61.74 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.686 -0.806 . . . . 0.0 112.61 -172.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.716 -176.224 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 122.304 1.049 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -77.99 161.12 27.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.811 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.2 m -135.39 119.9 18.08 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.333 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.76 170.42 7.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.859 1.314 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.31 158.39 42.69 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.3 p-10 -31.54 -49.91 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -170.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.48 -54.26 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.215 -0.928 . . . . 0.0 112.314 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.98 -27.02 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.452 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -51.59 -48.7 63.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 23.4 mm100 -63.84 -54.59 32.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.107 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -54.73 -34.21 62.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.493 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.73 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.189 -0.605 . . . . 0.0 112.401 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.0 -24.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.929 -0.708 . . . . 0.0 112.702 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 68.4 mt-30 -72.42 -10.21 59.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -84.31 0.02 OUTLIER Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.961 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -157.03 -71.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.991 -1.083 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -95.42 -178.24 0.76 Allowed Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.886 -169.766 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 36.3 Cg_exo -56.94 140.26 91.7 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 121.72 1.613 . . . . 0.0 114.912 -171.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.06 119.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.6 134.91 33.91 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.692 -1.203 . . . . 0.0 110.173 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.1 t -107.88 131.87 57.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.24 109.62 21.51 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -87.66 119.15 27.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -145.77 173.83 11.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 109.049 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.02 153.5 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.154 172.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.76 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.726 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.41 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 36.7 p-90 -84.82 -9.87 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.763 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.13 139.5 58.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.362 1.077 . . . . 0.0 111.75 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.59 -60.97 2.24 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.07 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.97 -8.98 23.09 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 CA-C-N 119.625 1.712 . . . . 0.0 113.909 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -73.93 -15.97 61.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.725 176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.03 -37.61 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.728 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.2 mtt -66.42 -32.41 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.419 -0.912 . . . . 0.0 111.647 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.438 ' HA ' HG22 ' A' ' 38' ' ' VAL . 43.5 mtp -75.66 -13.98 60.34 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.041 -1.063 . . . . 0.0 113.124 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -54.01 46.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.92 -37.5 3.59 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 121.478 1.564 . . . . 0.0 113.48 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 35' ' ' MET . 34.1 m -67.81 -33.05 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.505 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.95 -34.05 64.13 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.713 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.16 -38.27 85.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.155 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.15 -26.38 64.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.686 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.1 t80 -72.18 -43.5 64.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.713 0.768 . . . . 0.0 111.313 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.09 66.52 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.456 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.12 -23.94 28.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.537 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -58.25 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 50' ' ' VAL . 84.3 m-70 -84.93 -53.61 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.986 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.16 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 170.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.6 38.76 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.9 0.857 . . . . 0.0 110.893 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 17.9 tppt? -149.96 -47.81 0.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.376 0.608 . . . . 0.0 109.415 -172.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.6 p -105.73 143.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 110.444 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -102.51 107.97 19.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.77 95.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 179.26 4.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -171.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -138.82 111.46 7.65 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.94 -172.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.96 121.5 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -82.9 124.4 30.31 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.702 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.5 m -68.07 -22.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.378 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 15.8 t70 -83.21 -46.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.825 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.36 -38.96 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.52 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -116.46 103.13 53.12 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -95.66 -7.92 1.39 Allowed 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.163 1.242 . . . . 0.0 113.527 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.13 -37.66 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.741 -171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -77.47 -36.71 52.57 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.229 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -67.11 -27.91 67.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.89 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -79.85 -31.19 40.49 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.4 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.39 -53.32 44.99 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.171 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.32 -32.34 64.53 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.643 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.26 71.58 1.24 Allowed Glycine 0 N--CA 1.459 0.204 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 HG21 ' A' ' 74' ' ' THR . 41.3 mm -82.67 115.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.8 mtt -79.06 -40.32 31.57 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.569 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.0 t -159.51 118.48 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.703 -1.199 . . . . 0.0 110.974 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 72' ' ' ILE . 1.5 pp -72.68 149.44 90.6 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.626 172.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.49 144.23 76.7 Favored 'Cis proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.325 -1.531 . . . . 0.0 111.283 2.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 69' ' ' ILE . 14.8 m -128.58 121.87 29.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.843 0.83 . . . . 0.0 109.0 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -105.5 115.98 31.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.93 125.32 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.056 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -93.4 123.65 36.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.61 142.47 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.3 -68.47 0.85 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.945 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 55.45 0.69 Allowed Glycine 0 N--CA 1.461 0.366 0 C-N-CA 119.69 -1.243 . . . . 0.0 110.507 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.19 38.12 47.45 Favored Glycine 0 N--CA 1.462 0.406 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.826 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 124.59 2.57 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 -174.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.26 120.3 6.9 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.544 1.496 . . . . 0.0 111.067 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.66 -51.66 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.785 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -140.97 155.51 46.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.234 1.016 . . . . 0.0 109.418 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -136.9 113.95 10.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.629 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD22 HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -132.79 130.52 39.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.341 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -127.87 -177.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.312 1.053 . . . . 0.0 111.845 -165.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -172.09 40.98 Favored Glycine 0 N--CA 1.46 0.293 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -82.95 121.93 27.63 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.462 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.533 HE21 HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -125.58 116.86 24.81 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.063 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -54.77 170.04 0.7 Allowed 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 122.023 1.816 . . . . 0.0 113.768 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 36.2 ttpt -58.82 -31.66 68.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.188 172.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.93 -40.44 79.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.327 -0.858 . . . . 0.0 111.738 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -70.68 -40.89 72.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.828 0.823 . . . . 0.0 110.788 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.9 mt -60.82 -43.52 98.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.56 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 42.2 mt-10 -67.31 -38.9 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.115 -1.034 . . . . 0.0 112.121 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.47 68.99 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.615 -0.834 . . . . 0.0 111.255 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.69 -40.88 84.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.434 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 82.6 mt -89.43 -25.32 21.58 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -168.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.21 73.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.843 -1.161 . . . . 0.0 111.563 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -40.17 86.05 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.105 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.491 HG21 ' HG ' ' A' ' 77' ' ' LEU . 19.4 m -85.33 -26.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.23 -30.69 65.14 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.907 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.157 179.234 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 122.042 0.925 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.86 161.07 16.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.069 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -133.28 117.8 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.598 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.413 HD13 ' HB1' ' A' ' 53' ' ' ALA . 6.2 mp -102.2 169.83 8.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.877 1.323 . . . . 0.0 111.074 -176.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.8 t -147.75 156.77 43.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.696 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.4 p-10 -31.67 -49.75 0.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.46 -46.72 9.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.313 -0.867 . . . . 0.0 112.827 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.37 -30.83 71.69 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.937 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -50.06 -48.54 52.93 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.192 0.52 . . . . 0.0 112.341 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.16 -36.63 83.6 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.732 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -78.69 -29.06 45.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.955 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.5 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.418 0.628 . . . . 0.0 112.219 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.28 -22.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.079 -0.649 . . . . 0.0 112.42 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -79.45 -25.09 42.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.435 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.55 -82.04 0.43 Allowed Glycine 0 N--CA 1.46 0.264 0 C-N-CA 119.754 -1.212 . . . . 0.0 113.934 -170.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.26 -164.99 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.371 1.081 . . . . 0.0 112.591 -167.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.47 -175.75 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.109 -177.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' LYS . 6.0 Cg_exo -39.84 123.17 1.17 Allowed 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 122.102 1.868 . . . . 0.0 115.87 -176.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.55 117.03 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -87.74 109.61 19.84 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.168 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 131.8 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.009 -1.076 . . . . 0.0 108.919 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.09 113.19 25.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 79.2 m-85 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -149.88 177.71 9.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.29 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.52 45.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.191 -1.003 . . . . 0.0 109.021 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.03 63.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.746 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.421 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 42.6 p-90 -81.34 -8.64 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.527 -0.869 . . . . 0.0 112.408 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.5 t -67.46 141.84 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.217 1.008 . . . . 0.0 111.753 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.85 -58.95 1.55 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.033 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.1 Cg_endo -74.82 -4.13 14.94 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 CA-C-N 119.889 1.844 . . . . 0.0 113.752 -174.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -26.82 62.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.979 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.1 -20.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.119 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.85 -51.09 71.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.828 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.442 ' HA ' HG12 ' A' ' 38' ' ' VAL . 7.5 ptm -87.93 1.72 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.44 -0.904 . . . . 0.0 113.248 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.02 -53.51 51.02 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 174.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 95.6 Cg_endo -74.42 -25.74 12.84 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 121.535 1.584 . . . . 0.0 113.151 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 35' ' ' MET . 2.8 p -75.3 -30.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.499 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.81 -30.38 66.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.48 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.76 -32.89 71.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.957 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.68 -30.07 69.51 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.591 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.514 ' CZ ' HD12 ' A' ' 100' ' ' LEU . 8.2 t80 -70.49 -43.3 70.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.609 0.719 . . . . 0.0 111.834 -176.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -19.49 64.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.732 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -30.86 55.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.393 174.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.13 -52.32 7.92 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.002 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' VAL . 97.5 m-70 -82.79 -52.46 6.73 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.543 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 -85.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -84.77 24.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.729 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HG3' HD22 ' A' ' 104' ' ' LEU . 14.1 tppt? -133.07 -38.31 0.97 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.237 -171.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 46' ' ' HIS . 9.9 m -103.3 146.95 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.359 1.076 . . . . 0.0 110.558 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.9 m -108.55 93.75 4.69 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 163.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.18 90.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB1' HD13 ' A' ' 5' ' ' LEU . . . -101.09 171.8 7.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.231 -170.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -146.72 115.35 6.78 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.065 -1.054 . . . . 0.0 110.642 -174.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.66 128.13 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.43 115.69 21.56 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.906 -1.117 . . . . 0.0 108.554 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.84 -23.7 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.574 -0.851 . . . . 0.0 112.01 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 31.1 t70 -75.14 -48.31 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.854 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -68.69 -42.39 77.87 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -112.56 105.16 56.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.945 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.2 -16.32 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.03 1.154 . . . . 0.0 113.558 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.59 -28.75 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.046 -1.062 . . . . 0.0 111.928 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -72.62 -44.76 61.52 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.175 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -64.89 -29.64 70.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.427 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -83.11 -27.97 29.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.684 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.32 -48.63 79.0 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.951 -0.699 . . . . 0.0 110.999 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.11 -36.85 24.5 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.885 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 81.94 1.56 Allowed Glycine 0 N--CA 1.459 0.191 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -92.49 96.41 6.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.2 mtt -83.21 -25.02 32.12 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.396 -0.922 . . . . 0.0 112.312 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -149.15 112.25 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.069 -176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.589 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -81.26 147.97 62.04 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.307 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -86.5 132.71 14.56 Favored 'Cis proline' 0 C--N 1.325 -0.71 0 C-N-CA 123.213 -1.578 . . . . 0.0 110.804 2.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 88' ' ' ILE . 3.6 m -103.05 126.44 50.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.634 0.731 . . . . 0.0 109.14 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.6 125.78 51.38 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.28 130.09 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 19' ' ' PRO . 3.3 tm? -99.03 123.04 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.265 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -108.49 137.96 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -106.18 -71.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.141 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 56.53 0.56 Allowed Glycine 0 N--CA 1.462 0.403 0 C-N-CA 119.568 -1.301 . . . . 0.0 110.657 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 43.36 23.2 Favored Glycine 0 N--CA 1.462 0.384 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.509 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -169.52 124.1 0.7 Allowed Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -173.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.78 121.69 7.21 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 121.27 1.314 . . . . 0.0 110.167 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 m -77.69 -46.18 27.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.118 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -144.58 165.39 28.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.397 1.094 . . . . 0.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -140.32 111.65 7.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.515 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -124.16 154.93 39.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.019 0.914 . . . . 0.0 108.552 170.261 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.85 165.96 30.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.138 0.97 . . . . 0.0 111.268 -166.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.29 177.53 51.87 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 119.997 -1.097 . . . . 0.0 111.893 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.28 129.33 39.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.459 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.557 HE22 HD13 ' A' ' 87' ' ' LEU . 6.3 pt20 -136.42 127.8 16.88 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -56.44 166.36 3.57 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 121.591 1.527 . . . . 0.0 113.418 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 31.7 ttpt -57.95 -33.04 68.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.936 175.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.39 -36.55 84.31 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.828 -0.749 . . . . 0.0 112.002 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -70.95 -40.86 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.2 mt -64.33 -43.49 94.48 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.833 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.47 -41.29 72.95 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.64 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.3 85.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.111 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -58.46 -53.14 61.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.461 175.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 70.0 mt -81.17 -27.79 35.27 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.573 -168.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.72 72.2 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 120.827 -1.171 . . . . 0.0 111.885 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.03 -43.96 97.73 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.817 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.22 -23.42 7.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 49' ' ' LYS . 67.2 mt -78.78 -26.89 44.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -170.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 119.184 -1.006 . . . . 0.0 111.409 -174.013 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 122.327 1.061 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -90.98 161.95 14.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.216 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -131.33 117.86 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.593 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.76 174.56 5.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.783 1.278 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.8 t -159.62 166.39 30.78 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.5 p-10 -36.92 -48.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -170.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.2 -49.23 9.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.491 -0.756 . . . . 0.0 112.521 -175.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.4 -30.85 68.91 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.272 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.22 -47.96 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt-30 -61.94 -46.53 88.92 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.177 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.6 -29.24 65.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.426 -0.909 . . . . 0.0 112.34 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.75 90.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.419 0.628 . . . . 0.0 112.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 pt -78.63 -21.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 63.8 mt-30 -75.92 -11.28 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.22 -86.62 0.03 OUTLIER Glycine 0 N--CA 1.464 0.507 0 C-N-CA 119.601 -1.285 . . . . 0.0 112.938 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -165.03 -63.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.209 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -66.22 160.38 65.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.671 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.63 131.53 46.23 Favored 'Trans proline' 0 C--N 1.325 -0.66 0 C-N-CA 121.635 1.556 . . . . 0.0 112.734 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.0 t -124.67 111.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.31 108.13 17.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.929 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -82.38 138.72 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.65 175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -111.56 107.16 16.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -83.87 122.71 29.07 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -151.57 176.06 11.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.875 -170.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.58 157.47 46.09 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.012 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.53 -29.53 63.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.539 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.1 p-90 -81.58 -3.62 53.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.503 173.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.75 140.87 55.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.318 1.056 . . . . 0.0 111.682 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.19 -60.58 1.82 Allowed Glycine 0 CA--C 1.521 0.42 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.677 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 66.0 Cg_endo -73.41 -11.35 24.58 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 CA-C-N 119.698 1.749 . . . . 0.0 113.88 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.6 m -70.75 -27.25 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.074 -1.05 . . . . 0.0 110.786 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.25 -23.83 63.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.157 -0.617 . . . . 0.0 112.466 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.57 -45.1 95.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.847 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -80.89 -1.8 44.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -48.97 -59.02 7.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 120.995 -1.066 . . . . 0.0 112.966 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 88.6 Cg_endo -71.55 -20.75 26.66 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-N 121.489 1.567 . . . . 0.0 113.045 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.22 -46.61 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.145 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.35 -37.57 87.96 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.235 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.49 -42.05 98.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.149 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.93 -28.74 64.72 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.48 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.4 t80 -71.42 -43.56 66.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 111.546 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.2 66.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.007 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.17 -15.74 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.425 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.53 -57.02 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.43 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 81.1 m-70 -81.92 -51.03 8.49 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.232 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.54 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.95 30.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.209 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 42.7 tptt -137.57 -44.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 -172.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 m -105.91 145.85 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 122.381 1.086 . . . . 0.0 111.225 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -113.06 91.8 3.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 162.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.25 97.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.03 -177.6 3.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.998 0.904 . . . . 0.0 111.53 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -138.47 119.97 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.23 -173.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.89 124.53 43.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 173.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.78 121.51 27.0 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.287 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.85 -23.4 29.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.139 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.99 -47.15 13.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.804 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.49 -41.39 60.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.988 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -104.21 115.2 63.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.958 -170.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -98.73 -16.37 0.2 Allowed 'Trans proline' 0 C--N 1.327 -0.59 0 C-N-CA 120.953 1.102 . . . . 0.0 113.832 -169.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.56 -38.43 21.69 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.847 -169.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 t -83.56 -29.97 27.4 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 118.921 -1.112 . . . . 0.0 111.973 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.7 -33.97 74.86 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.584 -0.847 . . . . 0.0 111.624 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -80.28 -30.23 38.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.36 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -65.46 -49.98 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.646 -0.821 . . . . 0.0 110.944 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.36 -36.22 46.39 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.419 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.18 76.45 1.31 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.0 mm -85.15 109.87 18.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.2 mtp -82.77 -34.48 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.232 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -159.18 116.58 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.802 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.9 pt -79.53 147.87 68.68 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.435 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.66 127.42 13.53 Favored 'Cis proline' 0 C--N 1.326 -0.634 0 C-N-CA 123.123 -1.615 . . . . 0.0 111.464 6.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 m -107.72 115.85 30.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.07 127.17 52.76 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.102 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.33 129.67 67.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -175.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.4 tm? -96.24 124.45 40.25 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -112.11 150.27 30.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -103.84 -85.54 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.186 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 51.41 0.7 Allowed Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.11 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.87 36.42 6.77 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.777 -1.202 . . . . 0.0 111.95 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -157.11 126.41 3.13 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.06 119.53 5.88 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.417 1.411 . . . . 0.0 110.604 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.4 t -67.74 -60.5 2.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.34 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -149.84 156.68 42.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.198 0.999 . . . . 0.0 109.78 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -119.11 116.43 26.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.617 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 pp -120.87 149.54 42.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -138.86 171.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 122.117 0.961 . . . . 0.0 111.138 -165.621 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.56 173.21 49.57 Favored Glycine 0 N--CA 1.46 0.242 0 C-N-CA 119.797 -1.192 . . . . 0.0 110.635 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -79.56 119.88 23.14 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.384 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -117.82 133.13 23.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 92.4 Cg_exo -55.92 168.76 1.64 Allowed 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 121.695 1.597 . . . . 0.0 114.024 -176.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -66.2 -38.69 88.6 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.559 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -70.62 -34.86 72.56 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.745 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.48 -45.67 86.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.442 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 18.0 mt -57.73 -48.16 80.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.16 -41.35 98.22 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.179 -172.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.98 78.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.989 0.9 . . . . 0.0 111.122 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.101 -175.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 100' ' ' LEU . 4.2 mm? -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.043 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -27.77 62.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.942 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.99 -43.22 88.43 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.671 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.17 -26.82 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.901 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.04 -30.29 49.77 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.106 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.407 -178.56 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 122.057 0.932 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.74 163.93 19.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.5 m -128.33 115.0 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.383 174.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD23 ' CD2' ' A' ' 10' ' ' PHE . 4.8 mp -96.93 169.81 9.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.629 1.204 . . . . 0.0 110.214 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -157.46 177.47 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.121 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -43.0 -54.23 4.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.32 -32.69 16.4 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.659 -0.816 . . . . 0.0 112.558 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -73.96 -28.4 61.47 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.121 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CD2' HD23 ' A' ' 5' ' ' LEU . 63.7 t80 -62.35 -45.26 93.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.221 0.534 . . . . 0.0 111.959 176.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.66 -41.32 98.21 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.072 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.81 -31.3 72.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.718 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.33 29.55 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.219 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 pt -79.5 -26.36 12.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 119.361 -0.935 . . . . 0.0 112.759 -172.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.11 -12.59 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.699 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.93 -89.16 0.09 OUTLIER Glycine 0 CA--C 1.519 0.303 0 C-N-CA 119.677 -1.249 . . . . 0.0 112.509 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -169.08 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.575 -173.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -67.0 140.92 96.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.063 -174.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -42.54 129.15 4.95 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.867 1.711 . . . . 0.0 113.634 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.83 112.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.0 106.88 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.288 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.17 120.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.179 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.18 110.4 22.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.438 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 94.5 m-85 -85.59 125.87 33.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -148.33 178.18 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.514 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.98 158.19 44.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.186 -1.006 . . . . 0.0 109.791 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.66 -26.7 60.87 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.63 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -84.72 -4.93 59.27 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.209 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.6 t -66.43 150.64 48.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 112.391 -173.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.506 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -96.32 -59.95 1.02 Allowed Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.791 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 68.6 Cg_endo -73.84 -5.72 17.48 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 119.727 1.763 . . . . 0.0 113.589 -175.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -69.41 -28.09 65.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.075 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -67.01 -27.52 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.808 173.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.38 -38.36 71.52 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.472 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.7 mtp -77.8 -11.67 59.91 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.336 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.16 -50.59 78.15 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -176.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 92.3 Cg_endo -81.67 -11.9 11.36 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-N 121.836 1.691 . . . . 0.0 113.978 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -87.73 -36.38 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.82 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.72 -39.05 84.32 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.61 -36.43 84.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.406 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.57 -30.46 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.014 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 11.7 t80 -65.79 -45.84 80.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.733 0.777 . . . . 0.0 111.354 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.9 -23.78 65.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.839 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.2 -35.34 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.385 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -50.86 19.62 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.531 -175.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 50' ' ' VAL . 95.5 m-70 -85.05 -52.77 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.525 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.1 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 169.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -83.25 15.05 3.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.331 -176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -122.36 -30.66 3.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.182 0.515 . . . . 0.0 110.062 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 46' ' ' HIS . 13.4 p -122.91 125.76 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.537 0.684 . . . . 0.0 109.413 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.5 m -92.87 93.84 8.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 170.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -85.98 99.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.71 178.02 4.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.135 0.969 . . . . 0.0 111.896 -168.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -141.28 110.49 6.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.916 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 tt -117.9 132.1 56.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 171.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -82.54 124.05 29.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.496 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -61.54 -30.83 49.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.229 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.14 -43.8 13.53 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.23 -42.18 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.163 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -112.67 99.16 46.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -100.27 8.94 0.67 Allowed 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 120.894 1.062 . . . . 0.0 113.809 -166.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -82.52 -35.2 27.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.721 -172.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.3 t -82.33 -33.21 29.01 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.56 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.6 t -67.37 -26.34 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.765 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.9 p -74.18 -29.84 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.34 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -69.46 -49.47 54.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.13 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.99 -36.1 23.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.882 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.15 77.21 1.06 Allowed Glycine 0 N--CA 1.461 0.343 0 C-N-CA 119.714 -1.232 . . . . 0.0 110.065 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.67 111.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.5 mtm -95.54 -18.06 20.91 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.33 -172.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.3 t -150.04 99.55 2.83 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 118.642 -1.223 . . . . 0.0 111.209 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 72' ' ' ILE . 1.7 pp -80.92 149.15 66.42 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.484 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.95 146.55 51.94 Favored 'Cis proline' 0 C--N 1.327 -0.594 0 C-N-CA 122.964 -1.682 . . . . 0.0 111.286 2.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' HG22 ' A' ' 88' ' ' ILE . 5.9 m -125.13 123.85 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.89 0.852 . . . . 0.0 109.453 -174.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.77 121.16 41.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.9 124.65 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -100.97 131.57 46.79 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.894 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.36 142.99 44.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.97 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -97.37 -76.18 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.743 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.29 61.17 0.51 Allowed Glycine 0 N--CA 1.463 0.464 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.048 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.8 43.02 36.69 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 119.735 -1.221 . . . . 0.0 110.951 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 111.39 2.9 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.53 115.81 4.44 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.3 1.333 . . . . 0.0 110.112 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.05 -48.89 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.449 -0.9 . . . . 0.0 110.381 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -146.24 147.91 31.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.58 1.181 . . . . 0.0 110.276 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -131.6 111.32 11.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.567 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.14 143.88 51.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.01 0.91 . . . . 0.0 108.805 174.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.21 165.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 122.109 0.957 . . . . 0.0 111.296 -167.709 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 169.97 33.91 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -77.09 111.03 12.25 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.214 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 6.4 pt20 -117.24 125.71 27.98 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 85.4 Cg_exo -58.14 173.0 1.06 Allowed 'Trans proline' 0 C--N 1.326 -0.633 0 C-N-CA 121.412 1.408 . . . . 0.0 113.702 -174.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.53 -40.78 60.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.18 176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.98 -29.69 70.63 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.029 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 91' ' ' GLN . 72.8 mm-40 -74.45 -38.34 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.69 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.5 mm? -59.2 -46.34 88.69 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.073 172.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.34 -42.16 98.22 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.034 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.43 92.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.481 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.91 -51.51 64.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.438 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.93 -27.57 43.74 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.397 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.34 -31.42 67.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 118.856 -1.137 . . . . 0.0 111.731 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -65.71 -43.56 88.75 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.865 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.82 -26.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.55 -10.64 59.73 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.346 -178.355 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.0 p . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 121.924 0.869 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 25.7 ttt -115.84 121.06 41.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.186 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -87.4 118.57 26.93 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.202 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.43 175.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.673 1.225 . . . . 0.0 109.99 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -157.79 168.84 26.05 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -37.9 -47.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.68 -47.17 10.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.613 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -71.47 -25.93 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.5 -49.67 71.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.208 0.528 . . . . 0.0 111.994 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.02 -37.29 86.6 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.404 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -75.17 -28.6 60.14 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.977 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.94 67.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.334 0.588 . . . . 0.0 112.178 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -79.48 -28.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.496 -171.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -75.45 -13.87 60.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.44 -85.79 0.03 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.01 -175.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.33 -54.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.05 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -76.02 159.85 79.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.199 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.39 136.3 74.86 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 121.749 1.633 . . . . 0.0 112.709 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.18 109.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 21' ' ' LEU . 8.4 tt -84.32 115.1 22.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.705 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.08 123.33 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 119.207 -0.997 . . . . 0.0 108.45 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 3.1 m-20 -101.55 104.68 15.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.55 124.97 31.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -149.38 175.13 11.72 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.066 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.34 152.97 44.86 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.292 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.83 -24.77 65.32 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.589 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -88.59 -2.26 58.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.644 173.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.9 t -68.22 146.5 53.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.367 1.08 . . . . 0.0 111.906 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.511 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.29 -58.42 1.22 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.69 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.1 Cg_endo -71.47 -9.33 25.0 Favored 'Trans proline' 0 C--N 1.329 -0.488 0 CA-C-N 120.044 1.922 . . . . 0.0 114.103 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 m -70.84 -22.87 62.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.742 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.35 -31.67 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.487 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.26 -53.0 62.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -85.38 4.64 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.18 80.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 121.132 -0.98 . . . . 0.0 113.091 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.83 -15.78 13.17 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-N 121.802 1.679 . . . . 0.0 113.976 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -76.81 -33.21 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.442 -1.303 . . . . 0.0 110.31 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.89 -35.31 76.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.947 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.25 -41.32 97.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.967 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -69.4 -32.52 71.58 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.057 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 35.4 t80 -66.91 -43.13 84.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.678 0.751 . . . . 0.0 111.919 -177.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.76 -25.47 63.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.963 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -83.97 -15.65 47.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.727 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.45 -58.41 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.458 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 90.2 m-70 -83.68 -44.61 14.32 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.913 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.08 -95.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 170.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -80.22 -16.77 54.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.197 -1.001 . . . . 0.0 111.631 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.1 tppt? -72.98 -35.25 66.86 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.523 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 46' ' ' HIS . 16.4 m -108.61 165.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.516 1.15 . . . . 0.0 111.062 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 m -126.18 90.47 3.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 162.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.28 93.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 3' ' ' MET . . . -101.17 174.4 6.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.37 1.081 . . . . 0.0 111.563 -168.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -138.94 112.02 7.96 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.502 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 tp -111.18 135.11 52.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 171.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -83.93 120.38 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 118.636 -1.226 . . . . 0.0 108.327 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.13 -20.94 23.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.146 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.69 -39.54 24.16 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.052 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -80.56 -42.89 21.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.85 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.07 113.31 64.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.287 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -105.76 7.81 0.22 Allowed 'Trans proline' 0 C--N 1.327 -0.603 0 C-N-CA 120.473 0.782 . . . . 0.0 114.089 -167.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -89.96 -43.37 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.994 -1.082 . . . . 0.0 112.614 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.5 t -82.02 -25.38 34.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 111.689 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -65.56 -23.56 66.89 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.741 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -79.44 -35.74 39.98 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.437 175.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -55.56 18.05 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.766 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -83.44 -32.14 26.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.36 -0.936 . . . . 0.0 112.045 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.3 67.66 1.4 Allowed Glycine 0 N--CA 1.46 0.247 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -91.1 100.01 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.2 mtt -135.94 32.43 2.95 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.533 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.6 t -146.33 58.41 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.313 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.553 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -71.66 147.51 92.12 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.453 -177.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.0 129.79 19.8 Favored 'Cis proline' 0 C--N 1.325 -0.676 0 C-N-CA 123.151 -1.604 . . . . 0.0 111.18 1.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.433 ' HA ' HG22 ' A' ' 88' ' ' ILE . 28.9 m -110.49 121.41 45.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 23' ' ' ASP . 17.3 mt -110.11 124.19 51.08 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.884 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mt -130.49 122.25 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 119.581 -0.848 . . . . 0.0 108.857 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.4 tm? -93.32 120.49 33.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 96.4 m-85 -108.38 141.43 40.22 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.144 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -98.52 -66.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.88 49.57 0.9 Allowed Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.548 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.55 -32.82 6.57 Favored Glycine 0 N--CA 1.462 0.398 0 C-N-CA 119.587 -1.292 . . . . 0.0 112.122 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.41 127.23 71.71 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 63.6 Cg_endo -75.79 120.99 6.03 Favored 'Trans proline' 0 C--N 1.325 -0.691 0 C-N-CA 121.552 1.501 . . . . 0.0 110.42 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.8 t -78.21 -50.09 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.903 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.89 134.03 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.19 106.21 12.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.653 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.5 pt? -127.76 150.06 49.97 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.548 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.12 155.75 24.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.669 -168.015 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.68 179.42 29.4 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -69.57 138.38 53.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.369 1.081 . . . . 0.0 109.683 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.653 HE22 ' HG ' ' A' ' 87' ' ' LEU . 6.5 pt20 -152.77 122.04 3.3 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -54.47 167.47 1.36 Allowed 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.617 1.544 . . . . 0.0 114.656 -173.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -61.72 -38.66 88.72 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.088 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.296 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -73.69 -37.68 65.12 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.881 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.86 -48.36 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.12 169.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.55 -30.36 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.239 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.1 -51.57 52.68 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.905 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.99 -42.41 99.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.777 0.798 . . . . 0.0 111.564 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 103' ' ' VAL . 44.9 mt -87.4 -28.6 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.039 -0.665 . . . . 0.0 112.631 -170.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.39 64.65 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.468 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -47.43 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.839 -0.745 . . . . 0.0 111.535 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.8 m -83.11 -25.05 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.488 HD22 ' HG3' ' A' ' 49' ' ' LYS . 83.1 mt -78.94 -36.63 41.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.652 -174.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.799 -179.557 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p -78.81 159.93 27.62 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.238 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 ttt -82.62 159.82 22.62 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.796 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -130.0 108.53 10.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.33 168.77 11.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.517 1.151 . . . . 0.0 109.653 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.3 t -157.86 150.89 23.05 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 25.3 p-10 -24.91 -56.97 0.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.37 -50.67 15.19 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.628 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -70.84 -22.33 62.33 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.566 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CE2' HG11 ' A' ' 22' ' ' VAL . 15.9 t80 -53.19 -60.4 3.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 111.923 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -76.18 -35.31 59.2 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.896 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.39 -23.74 67.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.453 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -55.74 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.644 -0.66 . . . . 0.0 111.425 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.68 -36.01 63.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.972 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -71.08 -14.87 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -97.59 0.02 OUTLIER Glycine 0 N--CA 1.461 0.337 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.962 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -172.38 84.67 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 170.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -154.13 121.85 2.95 Favored Pre-proline 0 C--N 1.322 -0.606 0 C-N-CA 118.608 -1.237 . . . . 0.0 111.488 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.95 110.61 0.39 Allowed 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.892 1.728 . . . . 0.0 112.633 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -143.99 120.91 5.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.9 tt -91.28 109.71 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.805 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 10' ' ' PHE . 77.1 t -82.8 128.7 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.715 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.99 117.7 35.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -98.64 116.94 31.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -147.17 177.37 9.23 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.217 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.57 33.51 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.796 -1.162 . . . . 0.0 109.787 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.58 -11.39 59.86 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.01 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 19.1 p-90 -95.71 4.02 53.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.835 -0.541 . . . . 0.0 112.267 172.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' A' ' 72' ' ' ILE . 4.2 t -78.24 153.4 31.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.248 1.023 . . . . 0.0 111.648 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.91 -68.12 1.22 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.13 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -83.32 9.17 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 CA-C-N 119.218 1.509 . . . . 0.0 113.867 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 26.7 m -75.8 -20.96 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.959 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -63.28 -27.13 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.88 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.6 mtp -57.89 -58.38 8.66 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.728 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.429 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.3 ptm -86.35 6.55 29.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.42 -52.86 62.62 Favored Pre-proline 0 C--N 1.321 -0.662 0 O-C-N 121.136 -0.977 . . . . 0.0 113.011 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 83.3 Cg_endo -77.99 -20.21 11.78 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 CA-C-N 121.561 1.593 . . . . 0.0 113.579 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.95 -31.73 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 118.211 -1.396 . . . . 0.0 110.739 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.01 -40.83 87.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.66 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -72.71 -30.38 64.16 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.645 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.1 -19.28 60.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.289 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.8 t80 -69.4 -39.67 77.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.745 0.783 . . . . 0.0 110.856 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.97 -20.39 65.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.689 171.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.4 -24.65 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.502 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.617 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 50' ' ' VAL . 45.6 m-70 -83.94 -56.13 3.86 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.293 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.96 -70.05 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 171.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -87.5 35.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.889 0.852 . . . . 0.0 110.4 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HG3' HD22 ' A' ' 104' ' ' LEU . 16.0 tppt? -153.64 -48.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.4 p -95.19 120.91 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.999 -177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.2 m -89.86 96.48 10.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.25 98.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.7 164.86 12.4 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.208 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -132.1 116.09 16.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.177 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 6' ' ' THR . 23.9 tp -111.01 129.87 55.77 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.123 171.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -84.42 110.98 19.05 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -74.57 -14.81 16.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.426 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 25.9 t0 -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.594 169.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.45 -40.34 73.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -114.59 105.95 52.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.51 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -105.69 10.86 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.578 0 N-CA-C 114.219 0.815 . . . . 0.0 114.219 -166.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -83.12 -42.17 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 120.873 -1.142 . . . . 0.0 111.873 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 t -81.86 -25.7 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.185 -1.006 . . . . 0.0 112.514 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -66.23 -26.65 67.47 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.224 -0.99 . . . . 0.0 111.48 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -78.0 -29.92 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.697 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -70.25 -52.24 24.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.946 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -77.84 -33.16 52.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.454 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.13 70.66 1.33 Allowed Glycine 0 CA--C 1.519 0.285 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.43 94.55 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.2 mtt -92.02 -18.06 24.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.626 -1.23 . . . . 0.0 112.705 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -145.75 100.84 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.275 -1.37 . . . . 0.0 110.898 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.3 pp -68.87 150.4 97.63 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.207 171.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.533 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 94.1 Cg_endo -81.55 156.97 81.76 Favored 'Cis proline' 0 C--N 1.323 -0.771 0 C-N-CA 123.324 -1.532 . . . . 0.0 111.833 2.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 88' ' ' ILE . 54.8 m -142.27 119.21 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.922 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.19 126.21 51.83 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.531 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mt -132.95 128.66 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.566 -0.853 . . . . 0.0 109.165 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 103' ' ' VAL . 2.8 tm? -95.71 127.05 41.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.433 ' N ' HD13 ' A' ' 77' ' ' LEU . 96.5 m-85 -116.14 132.13 56.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -107.56 -42.75 4.69 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.857 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.22 60.09 0.51 Allowed Glycine 0 N--CA 1.46 0.288 0 C-N-CA 119.16 -1.495 . . . . 0.0 110.986 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.7 40.9 85.24 Favored Glycine 0 N--CA 1.462 0.373 0 C-N-CA 119.775 -1.202 . . . . 0.0 112.004 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.84 120.73 1.04 Allowed Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.23 113.89 3.9 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.241 1.294 . . . . 0.0 109.929 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.88 -42.95 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.411 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.05 125.95 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.784 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -107.04 124.82 50.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -135.0 142.3 46.41 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.786 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.93 175.15 10.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.196 0.998 . . . . 0.0 110.717 -171.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.44 -159.64 35.35 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -91.85 128.77 37.81 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.319 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.429 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -133.4 122.47 17.03 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.94 163.98 5.27 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.259 1.306 . . . . 0.0 112.536 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -60.36 -29.39 68.89 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.193 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.85 -34.67 73.92 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.824 -0.548 . . . . 0.0 111.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -71.96 -44.17 64.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.007 0.908 . . . . 0.0 109.863 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -58.36 -49.24 77.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.023 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.59 -37.58 86.81 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.366 -0.834 . . . . 0.0 112.434 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.357 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.502 HE21 HD22 ' A' ' 87' ' ' LEU . 13.4 tp60 -58.25 -49.87 75.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.681 0.753 . . . . 0.0 111.293 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.9 mm? -77.34 -23.3 50.93 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.357 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 -36.85 73.4 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.283 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.91 -47.16 78.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.545 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.437 HG21 ' HG ' ' A' ' 77' ' ' LEU . 30.1 m -80.13 -29.1 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 49' ' ' LYS . 92.1 mt -72.43 -30.59 64.75 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.773 177.9 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 121.441 0.639 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 p -106.56 148.84 27.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.146 0.974 . . . . 0.0 110.101 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 tpt -87.9 165.47 15.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.839 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -132.95 117.67 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.601 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.5 176.07 5.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.736 1.255 . . . . 0.0 110.253 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -156.4 173.85 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -43.63 -44.75 6.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.63 -45.84 9.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.464 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -69.46 -25.38 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.439 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.86 -51.24 70.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.984 0.421 . . . . 0.0 111.81 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -67.3 -30.27 70.08 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.596 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -74.12 -31.94 62.98 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.492 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.16 -48.58 56.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.29 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.93 -27.89 20.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 119.709 -0.797 . . . . 0.0 112.391 -173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -74.43 -14.91 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -86.75 0.05 OUTLIER Glycine 0 N--CA 1.462 0.368 0 C-N-CA 119.774 -1.203 . . . . 0.0 112.985 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -162.57 -51.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.898 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -64.64 131.69 95.2 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.747 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.96 117.86 4.34 Favored 'Trans proline' 0 C--N 1.326 -0.632 0 C-N-CA 121.67 1.58 . . . . 0.0 112.167 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -107.27 117.94 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 100' ' ' LEU . 39.0 tp -87.07 109.9 19.73 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.455 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.5 t -86.75 132.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.653 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 75' ' ' LEU . 1.7 m-20 -100.37 106.09 17.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 171.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -83.99 121.52 27.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -147.21 177.21 9.37 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.415 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.35 156.8 46.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.458 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -28.74 64.12 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.323 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.596 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.2 t -66.75 143.8 56.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.207 1.003 . . . . 0.0 111.304 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.25 -59.11 1.49 Allowed Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.593 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 73.5 Cg_endo -76.4 -2.03 12.17 Favored 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 119.71 1.755 . . . . 0.0 113.841 -173.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.0 m -74.0 -24.98 59.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.235 174.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.08 -26.28 62.99 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.242 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mtt -64.65 -41.66 95.97 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.313 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 ptp -80.57 -7.34 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.007 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.69 -57.28 13.88 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 112.968 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 78.3 Cg_endo -67.76 -33.68 26.68 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.533 1.583 . . . . 0.0 112.613 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' A' ' 93' ' ' LYS . 42.6 t -56.8 -44.8 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.38 -28.19 62.85 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.814 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -67.59 -40.98 84.77 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.574 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.34 -34.96 79.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 110.921 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 32.6 t80 -72.0 -42.22 66.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.721 0.772 . . . . 0.0 112.034 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -25.59 66.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.954 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.29 -17.6 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.612 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.08 -54.79 6.32 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.782 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 92.2 m-70 -89.5 -50.39 6.12 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.517 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.54 -83.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.42 37.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.18 0.991 . . . . 0.0 110.406 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -145.11 -42.13 0.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.53 164.78 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.536 1.16 . . . . 0.0 110.707 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -139.92 88.38 2.23 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 165.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 1.1 m -70.1 98.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.32 179.86 4.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.853 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -141.71 108.63 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.482 -171.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -115.64 133.58 55.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -81.89 117.66 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.314 -0.954 . . . . 0.0 108.748 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.31 -14.65 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.81 -40.81 24.37 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.393 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.72 -47.97 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.507 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -98.84 118.44 62.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.773 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -101.27 -10.77 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 120.75 0.966 . . . . 0.0 114.314 -167.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -78.74 -45.22 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.407 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -79.81 -34.31 39.64 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.707 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -65.16 -27.83 68.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.695 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -77.88 -32.31 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.469 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.1 -49.53 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.288 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.57 -29.62 24.0 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.851 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.0 74.62 1.22 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.276 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.6 99.43 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -96.7 9.26 42.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.87 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.2 t -156.38 157.18 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.301 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.594 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -141.98 145.46 36.3 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -83.95 138.01 29.59 Favored 'Cis proline' 0 C--N 1.324 -0.718 0 C-N-CA 123.235 -1.569 . . . . 0.0 111.008 3.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -112.71 118.53 35.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.955 0.883 . . . . 0.0 109.373 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD11 ' OD2' ' A' ' 23' ' ' ASP . 4.4 mm? -96.39 126.03 41.31 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.247 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.19 125.08 32.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tt -93.33 134.11 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.885 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 83.5 m-85 -115.82 131.98 56.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.134 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -91.92 -71.35 0.64 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.668 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.23 53.12 0.71 Allowed Glycine 0 N--CA 1.462 0.41 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.3 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.8 45.49 7.2 Favored Glycine 0 N--CA 1.461 0.309 0 C-N-CA 119.687 -1.244 . . . . 0.0 111.073 -177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.68 118.1 1.33 Allowed Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 60.4 Cg_endo -72.88 120.03 6.41 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.345 1.363 . . . . 0.0 110.679 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.6 m -78.62 -45.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.434 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -148.35 161.82 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.149 0.976 . . . . 0.0 110.059 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -142.6 110.23 5.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.181 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -119.27 159.38 24.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.485 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -141.39 165.16 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 119.101 -1.04 . . . . 0.0 111.481 -167.077 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.32 171.23 42.76 Favored Glycine 0 N--CA 1.461 0.32 0 C-N-CA 120.033 -1.079 . . . . 0.0 110.539 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.88 119.36 14.9 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.664 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.457 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.1 pt20 -119.57 120.78 30.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.541 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.11 166.86 0.15 Allowed 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.096 1.864 . . . . 0.0 114.622 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HB2' HG13 ' A' ' 38' ' ' VAL . 34.4 ttpt -60.42 -36.11 77.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.562 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.54 -29.76 70.43 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.851 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.32 -38.55 60.19 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 111.044 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.4 mm? -56.63 -53.81 53.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.902 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.75 -44.21 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.462 -171.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.23 86.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.921 0.867 . . . . 0.0 111.378 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.91 -48.95 78.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.066 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.7 mm? -72.56 -33.74 67.01 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.739 -0.785 . . . . 0.0 112.766 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.1 66.6 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.144 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.53 -43.03 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.883 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.2 m -85.12 -28.23 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 49' ' ' LYS . 90.7 mt -75.52 -12.98 60.34 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.911 -173.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.838 179.681 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p -111.57 155.85 22.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.419 1.104 . . . . 0.0 111.203 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 tpt -88.72 162.15 16.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.577 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -132.53 116.47 16.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.148 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -95.87 170.65 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.903 1.335 . . . . 0.0 110.216 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -152.25 168.46 25.32 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.86 -41.5 11.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.49 -41.87 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.303 -0.873 . . . . 0.0 112.396 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -66.82 -29.08 68.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.828 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.35 -45.17 80.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.147 0.499 . . . . 0.0 111.953 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.14 -34.65 78.07 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.844 -0.742 . . . . 0.0 112.026 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.51 -25.53 28.74 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.973 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.72 -46.59 71.77 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.72 -0.612 . . . . 0.0 112.515 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 pt -77.84 -26.11 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.606 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -70.98 -15.42 62.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.41 -88.08 0.02 OUTLIER Glycine 0 N--CA 1.46 0.243 0 C-N-CA 119.732 -1.223 . . . . 0.0 112.963 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -158.34 -65.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.651 -173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -80.16 167.33 34.12 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.944 -167.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -56.64 137.26 80.25 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.797 1.665 . . . . 0.0 113.061 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.31 109.69 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.7 tt -87.21 115.97 24.97 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.395 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' N ' HD23 ' A' ' 21' ' ' LEU . 97.5 t -93.43 127.51 45.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.906 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.05 107.77 20.33 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -84.52 114.52 22.01 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -143.12 173.75 11.29 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.516 -172.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.0 154.72 50.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.35 1.071 . . . . 0.0 110.272 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.756 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -89.03 0.88 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.568 -0.707 . . . . 0.0 112.474 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.0 t -72.64 153.2 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.342 1.068 . . . . 0.0 112.23 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.23 -60.0 1.14 Allowed Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.545 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.5 Cg_endo -73.13 -4.54 15.6 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 CA-C-N 119.739 1.769 . . . . 0.0 114.013 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 m -76.86 -21.91 54.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.335 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 33' ' ' ARG . 3.9 mpt_? -65.53 -31.0 71.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.483 -0.761 . . . . 0.0 111.622 173.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 82.5 mtp -67.41 -45.92 74.72 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.576 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ptp -82.18 -3.41 54.91 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.822 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -45.24 -50.46 28.58 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.4 Cg_endo -76.06 -36.09 2.12 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-N 121.472 1.562 . . . . 0.0 113.451 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -64.76 -34.88 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.777 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.1 -40.09 82.68 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.745 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.79 -37.22 86.89 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.714 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.929 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 23.6 t80 -72.65 -43.3 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.807 0.813 . . . . 0.0 111.365 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.19 64.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.954 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -88.78 -12.34 42.37 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.19 -1.004 . . . . 0.0 111.782 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.12 -54.49 5.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.984 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 94.4 m-70 -88.06 -48.65 7.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 -177.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.63 -92.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 170.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.06 -4.63 48.21 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.421 -0.912 . . . . 0.0 111.673 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -92.19 -35.09 14.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.724 -0.61 . . . . 0.0 110.449 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.9 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.464 1.126 . . . . 0.0 110.94 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.5 m -130.67 90.1 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 163.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -78.75 99.39 3.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.4 179.67 4.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.033 0.92 . . . . 0.0 111.593 -169.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -142.26 109.29 5.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.7 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.39 133.41 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.03 115.06 22.63 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.761 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.07 -26.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.688 -0.805 . . . . 0.0 111.616 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.36 -48.92 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.83 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -79.01 -32.23 45.03 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -118.37 95.84 49.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.267 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -100.67 9.82 0.58 Allowed 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 120.772 0.981 . . . . 0.0 114.377 -168.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -88.05 -48.79 7.48 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.943 -173.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -79.59 -26.64 41.22 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.177 -1.009 . . . . 0.0 111.776 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.5 -24.64 64.69 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.477 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -83.68 -26.88 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.212 171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.95 -49.84 73.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.114 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -85.12 -31.53 23.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.585 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.48 77.02 1.24 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 74' ' ' THR . 35.4 mm -88.25 105.32 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.6 mtt -100.61 -3.91 29.52 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.753 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -159.79 104.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.755 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.47 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -85.46 150.55 54.41 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.577 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.54 141.58 56.33 Favored 'Cis proline' 0 C--N 1.326 -0.655 0 C-N-CA 123.114 -1.619 . . . . 0.0 111.533 4.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.504 HG21 HD12 ' A' ' 69' ' ' ILE . 3.2 m -118.34 118.05 30.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.173 0.987 . . . . 0.0 109.126 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.47 120.84 36.42 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.1 mt -130.51 126.19 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 119.456 -0.898 . . . . 0.0 108.849 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.3 tm? -96.16 121.5 38.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.281 -178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.2 151.76 24.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.043 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -119.8 -61.48 1.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.688 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.78 53.75 0.7 Allowed Glycine 0 N--CA 1.462 0.394 0 C-N-CA 119.414 -1.374 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.59 32.22 11.9 Favored Glycine 0 N--CA 1.461 0.357 0 C-N-CA 119.836 -1.173 . . . . 0.0 111.811 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.47 118.21 1.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.72 113.5 3.67 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.292 1.328 . . . . 0.0 109.323 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.29 -45.97 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.427 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -143.26 145.3 32.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.206 1.003 . . . . 0.0 109.685 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -124.85 111.05 15.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.134 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -121.81 148.09 45.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.365 1.078 . . . . 0.0 108.563 169.338 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.95 161.8 35.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.616 -167.538 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.35 -173.11 35.41 Favored Glycine 0 N--CA 1.46 0.248 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.182 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -81.22 126.72 31.87 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.465 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.44 HE22 HD13 ' A' ' 87' ' ' LEU . 7.1 pt20 -141.94 122.49 8.44 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.97 171.48 1.6 Allowed 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 121.351 1.368 . . . . 0.0 114.117 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.72 -42.09 56.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.86 -30.12 71.1 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.458 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -73.37 -41.54 63.27 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.539 173.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -57.48 -56.14 25.7 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.387 172.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.53 -44.93 85.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.986 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -50.3 73.86 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -56.2 -53.23 59.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.072 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.2 -30.42 60.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.623 -0.831 . . . . 0.0 112.616 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.7 62.13 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.153 -0.967 . . . . 0.0 112.33 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -67.53 -46.86 71.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.727 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.442 HG21 ' HG ' ' A' ' 77' ' ' LEU . 21.7 m -83.04 -24.99 8.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' HG3' ' A' ' 49' ' ' LYS . 87.0 mt -77.95 -29.81 50.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.711 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.708 177.328 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.984 0.897 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -87.02 151.71 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.113 0.958 . . . . 0.0 111.174 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 159.9 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.032 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -134.97 111.78 10.09 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.189 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.962 1.363 . . . . 0.0 110.584 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' ASP . 6.8 t -156.48 157.32 35.26 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.8 p-10 -25.93 -54.42 0.06 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.84 -49.74 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.613 -0.679 . . . . 0.0 112.606 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -66.74 -32.52 73.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.606 0.717 . . . . 0.0 110.789 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -48.36 -48.71 36.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.053 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.86 -50.07 65.89 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.959 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.68 -35.9 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.984 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.47 93.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 pt -83.38 -24.23 8.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.631 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -71.24 -16.23 62.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -90.9 0.02 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.498 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.88 -60.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.026 -1.07 . . . . 0.0 111.133 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -72.5 146.53 88.92 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.222 -172.715 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HB3' HD21 ' A' ' 77' ' ' LEU . 25.9 Cg_exo -53.2 148.82 30.45 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.996 1.797 . . . . 0.0 115.575 -175.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -144.77 116.92 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 tp -78.93 130.0 35.12 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.218 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 94.9 t -106.7 141.68 21.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.494 -0.883 . . . . 0.0 108.626 175.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 115.29 24.54 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 69.4 m-85 -99.27 112.44 24.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.05 173.94 13.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.477 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.08 158.13 44.34 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.957 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.53 -33.85 35.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.509 -0.876 . . . . 0.0 111.479 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -74.45 1.36 12.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.462 -0.773 . . . . 0.0 112.629 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 72' ' ' ILE . 7.7 t -66.09 155.7 36.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.705 1.24 . . . . 0.0 112.975 -171.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.81 -61.98 0.99 Allowed Glycine 0 CA--C 1.521 0.445 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.29 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 74.4 Cg_endo -73.87 -12.57 24.07 Favored 'Trans proline' 0 C--N 1.328 -0.552 0 CA-C-N 119.533 1.667 . . . . 0.0 113.808 -175.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 m -73.45 -6.55 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.974 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -63.04 -33.39 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.622 -0.674 . . . . 0.0 112.166 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 44.8 mtt -68.89 -48.35 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.178 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.4 ptp -78.52 -0.99 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.55 -59.02 8.11 Favored Pre-proline 0 C--N 1.322 -0.613 0 O-C-N 121.341 -0.849 . . . . 0.0 113.288 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.17 -22.45 34.76 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 CA-C-N 121.607 1.61 . . . . 0.0 113.149 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.37 -49.66 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.357 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -68.23 -43.42 78.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.635 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.05 -32.95 72.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.584 173.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 8.3 t80 -74.92 -45.2 44.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -169.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.32 -29.63 69.87 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.68 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.84 -5.51 58.57 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.074 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.41 -56.45 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' HB2' HG12 ' A' ' 50' ' ' VAL . 91.3 m-70 -81.16 -54.21 5.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.91 -88.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 169.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.11 43.04 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.252 1.025 . . . . 0.0 110.468 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -153.49 -56.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.9 p -95.51 155.24 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.617 0.722 . . . . 0.0 109.654 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -117.15 96.62 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.55 96.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.48 168.48 10.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.804 0.811 . . . . 0.0 110.148 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.13 117.2 19.59 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.551 -170.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.34 116.58 23.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -78.21 122.57 25.84 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.459 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -70.2 -15.46 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.598 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -82.09 -50.73 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.525 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -76.43 -37.92 56.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.799 -0.761 . . . . 0.0 111.724 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -113.55 94.51 32.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.115 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -89.57 2.04 5.61 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 121.234 1.289 . . . . 0.0 113.691 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.37 -44.29 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.315 -0.954 . . . . 0.0 112.285 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 t -80.08 -31.93 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.598 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -69.91 -30.66 68.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.599 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 m -80.03 -30.34 39.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.216 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.28 -43.8 90.05 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.509 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -76.21 -36.38 58.64 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.004 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.93 64.63 0.95 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.6 mm -85.07 95.15 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mtm -89.2 -24.56 22.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.859 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.8 t -132.2 91.17 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.962 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.1 pp -73.57 146.42 86.01 Favored Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.643 172.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 83.6 Cg_endo -81.5 148.5 72.43 Favored 'Cis proline' 0 C--N 1.324 -0.748 0 C-N-CA 123.082 -1.633 . . . . 0.0 111.181 2.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.409 HG23 HG22 ' A' ' 88' ' ' ILE . 3.4 m -132.84 124.66 28.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.8 mt -113.98 138.58 50.16 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.63 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.8 mt -145.7 124.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 19' ' ' PRO . 9.0 tt -97.05 137.78 35.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.61 -1.236 . . . . 0.0 109.604 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -116.21 156.37 26.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.685 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -110.49 -75.05 0.63 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.118 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.18 51.62 0.76 Allowed Glycine 0 N--CA 1.462 0.385 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.162 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.31 25.45 36.56 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.767 -1.206 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 3.3 tmt_? -146.45 123.76 5.98 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.07 128.14 15.33 Favored 'Trans proline' 0 C--N 1.322 -0.816 0 C-N-CA 121.389 1.393 . . . . 0.0 111.17 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 t -71.76 -56.54 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.557 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -141.83 142.94 33.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.057 0.932 . . . . 0.0 108.698 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -120.47 112.97 19.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.669 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.5 pt? -114.93 152.36 32.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 169.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.66 169.73 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.415 1.102 . . . . 0.0 111.582 -166.317 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.74 -162.23 52.9 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.874 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -81.27 133.93 35.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.434 1.111 . . . . 0.0 108.573 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.99 108.22 15.24 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -48.81 158.03 1.36 Allowed 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.761 1.641 . . . . 0.0 112.797 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.43 -21.71 51.88 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.929 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.75 -46.28 72.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.727 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -65.48 -45.26 84.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.66 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.8 mt -57.41 -51.03 71.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.18 -39.42 92.64 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.85 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.1 66.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.883 0.849 . . . . 0.0 111.366 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -64.82 -50.93 64.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.37 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.75 -29.84 56.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.148 -173.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.77 -28.11 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.201 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.38 -42.12 83.89 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.578 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.66 -25.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.5 mt -81.7 -32.06 31.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.05 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.066 -177.045 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 121.739 0.78 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 HG23 ' A' ' 52' ' ' VAL . 68.5 p -90.59 160.68 15.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.272 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.3 tpt -92.94 165.75 12.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -140.37 119.07 12.39 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.09 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.88 -179.87 4.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.656 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -161.46 156.83 24.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -35.94 -43.3 0.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.88 -55.64 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.739 -0.601 . . . . 0.0 112.19 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -69.21 -22.91 63.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.447 0.641 . . . . 0.0 111.634 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.05 -51.82 62.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.352 0.596 . . . . 0.0 111.755 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -67.96 -29.03 67.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -76.24 -26.64 56.22 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.245 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.95 12.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.75 -0.594 . . . . 0.0 111.528 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 pt -74.97 -33.44 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.931 -172.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.79 -20.42 60.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.92 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.5 -81.47 0.06 OUTLIER Glycine 0 N--CA 1.461 0.338 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.641 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -164.6 -46.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.702 -1.199 . . . . 0.0 113.055 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.03 164.05 19.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.804 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.93 145.05 98.53 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 122.124 1.882 . . . . 0.0 113.463 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -149.99 118.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.0 tp -82.48 128.19 34.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.907 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.07 123.8 58.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -100.15 106.38 18.08 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -83.51 118.96 24.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -151.6 178.99 8.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.263 -0.975 . . . . 0.0 109.921 -169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.06 155.31 43.27 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.051 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.87 63.65 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.664 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -77.84 -2.73 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -63.02 150.26 42.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.262 1.03 . . . . 0.0 111.859 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.08 -66.05 1.32 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.461 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 -9.8 26.25 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 CA-C-N 119.186 1.493 . . . . 0.0 113.948 -175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 m -69.07 -24.48 64.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.108 -0.995 . . . . 0.0 111.092 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.02 -27.36 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.559 -0.713 . . . . 0.0 111.946 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.8 mtp -68.91 -27.49 65.82 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.005 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.7 mtp -77.66 -10.24 59.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.31 35.35 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.383 -0.823 . . . . 0.0 112.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.44 3.61 6.65 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 CA-C-N 121.498 1.571 . . . . 0.0 114.794 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.03 -44.8 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.918 -1.114 . . . . 0.0 110.599 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.79 -36.12 82.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.0 -42.12 97.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.481 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -73.83 -23.86 59.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.762 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 21.7 t80 -76.7 -46.51 25.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.615 0.722 . . . . 0.0 111.789 -176.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -66.34 -28.96 69.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.97 -11.83 54.63 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.381 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.936 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' HB2' HG12 ' A' ' 50' ' ' VAL . 90.7 m-70 -81.58 -63.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.86 -74.72 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -84.65 24.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.742 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -142.0 -46.62 0.35 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.024 -0.671 . . . . 0.0 109.695 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG12 ' HB2' ' A' ' 46' ' ' HIS . 6.0 p -95.93 148.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.934 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -115.08 82.51 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 166.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG23 HG22 ' A' ' 2' ' ' THR . 3.8 m -72.77 95.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.41 174.12 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.45 -170.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -137.32 104.75 5.48 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.585 -171.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tt -108.19 129.05 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -83.16 120.1 25.36 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.448 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.67 -20.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.298 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.39 -35.86 71.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.226 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.64 -48.39 8.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.796 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -107.15 116.74 57.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.86 -168.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -100.49 -6.19 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.032 1.155 . . . . 0.0 114.21 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.51 -39.52 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.876 -169.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -76.01 -32.51 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.988 -1.085 . . . . 0.0 111.931 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 t -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.946 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -78.88 -35.57 43.48 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.209 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -61.76 -42.15 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.902 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 78' ' ' PHE . 24.3 m-85 -93.55 -39.34 10.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.42 -0.912 . . . . 0.0 111.678 -174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.91 78.59 1.42 Allowed Glycine 0 N--CA 1.461 0.317 0 C-N-CA 119.57 -1.3 . . . . 0.0 110.211 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.32 119.28 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.9 mtt -91.77 -34.49 14.58 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.571 -0.852 . . . . 0.0 112.394 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -159.08 117.94 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.048 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 72' ' ' ILE . 2.7 pp -76.52 151.22 82.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.494 174.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.34 144.84 69.56 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 C-N-CA 123.254 -1.561 . . . . 0.0 111.002 1.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.6 m -130.8 117.14 18.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.95 127.52 53.51 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.561 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.53 136.09 46.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 119.567 -0.853 . . . . 0.0 109.247 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -103.01 132.92 48.92 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 119.591 -0.844 . . . . 0.0 108.987 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.5 m-85 -115.88 143.5 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.698 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -100.31 -76.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.976 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.4 54.08 0.65 Allowed Glycine 0 N--CA 1.461 0.345 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.522 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.12 41.99 16.64 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.712 -1.232 . . . . 0.0 111.291 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -155.73 115.53 2.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.1 Cg_endo -73.39 119.7 6.12 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.273 1.315 . . . . 0.0 110.431 -172.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.45 -50.11 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.089 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -151.01 155.42 39.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.087 0.946 . . . . 0.0 109.726 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -137.96 126.93 24.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.83 0.824 . . . . 0.0 108.935 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 137.66 38.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.91 173.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.637 -164.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.2 -165.55 29.09 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.45 106.56 18.05 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 118.729 -1.188 . . . . 0.0 107.972 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.66 114.5 58.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.7 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.49 172.27 0.24 Allowed 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.885 1.723 . . . . 0.0 114.473 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -54.67 -35.69 63.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.83 170.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.29 -36.76 77.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.167 0.508 . . . . 0.0 111.505 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -73.41 -44.46 58.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.66 0.743 . . . . 0.0 110.503 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 10.9 mt -55.26 -57.67 10.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.506 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.51 -37.4 72.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.23 76.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.056 0.931 . . . . 0.0 110.893 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.19 -48.38 80.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.621 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -74.69 -28.05 60.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.284 -0.966 . . . . 0.0 112.864 -172.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.27 71.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.206 -0.998 . . . . 0.0 112.434 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.656 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.56 -21.91 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.1 mt -80.11 -36.22 35.65 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.299 -0.96 . . . . 0.0 112.912 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.242 -179.282 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 121.263 0.554 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -144.59 155.12 43.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.417 1.103 . . . . 0.0 111.163 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.3 tpt -102.69 168.49 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.423 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 m -135.95 122.66 21.05 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.888 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.55 171.76 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.809 1.29 . . . . 0.0 110.436 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.7 t -151.76 160.02 43.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' THR . 8.3 p-10 -37.34 -43.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -169.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.98 -51.43 7.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.385 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -65.73 -31.42 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.028 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.11 -48.01 44.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.13 -40.04 96.44 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.425 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -75.08 -30.26 60.9 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.844 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.74 81.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.378 0.609 . . . . 0.0 112.278 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.55 -26.22 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.58 -173.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.67 -15.14 62.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -85.28 0.02 OUTLIER Glycine 0 N--CA 1.462 0.415 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.971 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -167.55 -67.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.157 -1.017 . . . . 0.0 110.257 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 143.79 86.93 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.657 -173.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -42.43 127.36 4.29 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 122.181 1.921 . . . . 0.0 114.596 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.1 t -117.76 118.42 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 21' ' ' LEU . 10.5 tt -90.71 131.37 36.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.829 -1.149 . . . . 0.0 109.156 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.9 130.83 61.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.433 171.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.46 107.59 18.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -82.06 126.44 32.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -144.26 170.58 15.72 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.936 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.47 153.25 51.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.765 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.44 65.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.398 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -81.53 -12.14 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.647 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.4 t -69.05 140.12 54.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.287 1.041 . . . . 0.0 111.463 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.95 -58.71 1.86 Allowed Glycine 0 CA--C 1.521 0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 74.1 Cg_endo -74.92 -1.26 10.96 Favored 'Trans proline' 0 C--N 1.326 -0.615 0 CA-C-N 119.877 1.839 . . . . 0.0 113.931 -173.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.5 m -73.56 -27.15 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.294 -0.962 . . . . 0.0 111.187 172.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.8 -27.13 64.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.237 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.7 mtp -63.24 -47.79 80.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.112 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.466 ' HA ' HG12 ' A' ' 38' ' ' VAL . 8.6 ptm -86.76 1.49 52.03 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.973 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -51.24 -52.28 60.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 O-C-N 120.874 -1.141 . . . . 0.0 113.084 173.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 94.9 Cg_endo -78.3 -23.75 8.52 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 CA-C-N 121.434 1.548 . . . . 0.0 113.523 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 35' ' ' MET . 3.9 p -74.78 -25.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.151 -1.019 . . . . 0.0 110.761 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.85 -30.71 62.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.052 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.96 -40.74 98.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.467 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.19 -31.0 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.564 0.697 . . . . 0.0 111.513 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.3 t80 -69.18 -39.86 78.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.623 0.725 . . . . 0.0 111.733 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.54 -25.98 66.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.439 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.55 -27.51 55.94 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.335 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -53.5 14.46 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.124 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.4 m-70 -88.66 -49.25 6.98 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.789 -176.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.99 -85.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.92 36.07 0.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.133 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -148.05 -35.67 0.21 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.501 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.6 p -122.64 141.36 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.277 -176.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -104.23 114.7 29.12 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.45 95.94 5.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.67 171.75 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.019 0.914 . . . . 0.0 111.782 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 117.45 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.617 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -114.69 123.24 48.78 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -87.18 113.37 22.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.102 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.65 -16.94 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.3 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.73 -42.36 64.2 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.025 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -75.15 -45.6 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.501 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -103.68 113.72 65.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.922 -170.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -95.28 -15.46 0.53 Allowed 'Trans proline' 0 C--N 1.326 -0.652 0 C-N-CA 121.082 1.188 . . . . 0.0 113.503 -170.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -88.75 -35.83 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.127 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.5 m -64.4 -39.32 93.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.54 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -69.14 -26.21 64.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.979 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.9 t -80.71 -32.86 35.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.85 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -62.61 -47.84 82.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.257 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.08 -29.27 16.64 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.765 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.07 80.37 1.21 Allowed Glycine 0 N--CA 1.461 0.312 0 C-N-CA 119.403 -1.38 . . . . 0.0 110.098 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.2 mm -91.0 101.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.9 mtt -79.97 -33.36 39.55 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.211 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -153.14 111.59 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.112 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.666 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -78.94 150.66 75.4 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.789 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.44 139.11 42.71 Favored 'Cis proline' 0 C--N 1.326 -0.638 0 C-N-CA 123.22 -1.575 . . . . 0.0 111.294 4.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -117.6 123.85 47.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.855 0.836 . . . . 0.0 109.412 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.3 122.81 42.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.67 125.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.458 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -95.47 127.5 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 83' ' ' PRO . 52.9 m-85 -109.59 149.82 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.82 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -141.74 106.97 4.98 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.43 68.28 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 119.783 -1.199 . . . . 0.0 111.945 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.68 52.39 20.69 Favored Glycine 0 N--CA 1.46 0.276 0 C-N-CA 119.909 -1.139 . . . . 0.0 111.047 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -156.46 105.69 2.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -175.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 71.8 Cg_exo -63.62 120.14 7.44 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.494 1.462 . . . . 0.0 112.223 -176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.36 -43.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.591 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -142.66 157.0 45.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.007 0.908 . . . . 0.0 109.562 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -137.7 102.79 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.451 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.73 163.94 13.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.062 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.475 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -147.83 138.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 109.36 -176.185 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.17 178.78 30.24 Favored Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.869 -1.158 . . . . 0.0 111.319 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -73.35 130.66 40.65 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.037 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.463 HE21 ' HG ' ' A' ' 96' ' ' LEU . 17.6 pt20 -133.11 121.27 16.65 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -54.45 168.25 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.921 1.747 . . . . 0.0 113.799 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 32.9 ttpt -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.633 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -69.26 -42.03 76.13 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.228 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.818 0.818 . . . . 0.0 110.67 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -63.83 -51.21 65.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.743 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.32 -46.01 85.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -46.12 86.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.97 0.89 . . . . 0.0 111.346 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.26 -54.52 32.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.279 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -26.84 62.72 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.17 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.09 65.85 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.946 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.82 -42.23 95.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.975 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.55 -27.31 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.609 -0.836 . . . . 0.0 113.152 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.45 -18.1 61.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.811 -178.046 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 121.343 0.592 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 HG22 HG23 ' A' ' 52' ' ' VAL . 40.3 p -90.17 155.84 18.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.098 0.951 . . . . 0.0 111.045 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -85.17 170.9 12.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m -134.37 110.07 9.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.013 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.05 178.46 5.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.494 1.14 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -156.48 169.8 23.79 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -39.33 -50.7 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.69 -37.97 13.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.501 -0.879 . . . . 0.0 112.478 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -70.4 -33.35 71.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.77 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -54.52 -54.11 45.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.015 0.436 . . . . 0.0 111.83 176.144 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.04 -35.67 81.0 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.304 -0.959 . . . . 0.0 111.569 -175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -74.65 -30.94 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.823 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.09 90.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.463 0.649 . . . . 0.0 112.108 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.6 pt -76.48 -28.52 17.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.852 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -68.66 -11.11 59.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.9 -81.87 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.071 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -165.14 -50.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.854 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.6 172.37 4.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.152 -1.019 . . . . 0.0 112.587 -166.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 79.3 Cg_exo -59.85 140.13 91.62 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 C-N-CA 121.948 1.766 . . . . 0.0 114.158 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -144.76 112.55 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 52' ' ' VAL . 30.7 tp -83.04 125.7 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.914 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 10' ' ' PHE . 89.6 t -103.57 127.7 57.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 C-N-CA 119.234 -0.986 . . . . 0.0 108.406 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' HD13 ' A' ' 75' ' ' LEU . 8.1 m-20 -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 31.3 m-85 -89.8 126.8 35.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -155.0 177.82 10.89 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.848 -171.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.59 154.9 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.889 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.03 -33.73 70.6 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.259 -0.976 . . . . 0.0 111.411 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -74.5 -10.78 59.89 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.967 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.8 t -66.43 138.58 57.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.115 0.959 . . . . 0.0 111.487 -175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.3 -57.35 1.78 Allowed Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.145 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.9 Cg_endo -74.97 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 120.169 1.985 . . . . 0.0 113.591 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 m -66.04 -20.53 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.164 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -71.29 -24.94 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.694 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.2 mtt -60.49 -52.35 65.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.898 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ptp -79.03 -2.0 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.59 -0.844 . . . . 0.0 113.086 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.52 -59.42 9.51 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 120.963 -1.086 . . . . 0.0 112.454 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -69.42 -22.07 34.17 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 121.568 1.596 . . . . 0.0 113.093 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 93' ' ' LYS . 46.3 t -64.29 -44.46 97.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.739 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.42 -30.84 60.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.133 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.362 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.48 -36.39 80.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.543 0.687 . . . . 0.0 111.092 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 17.2 t80 -69.39 -39.35 78.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.708 0.766 . . . . 0.0 112.331 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.58 -29.55 69.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.699 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.5 -5.44 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.628 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.09 -53.21 8.66 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.129 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -92.24 -48.77 6.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 167.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.03 32.67 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.626 0.727 . . . . 0.0 111.275 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.5 tppt? -154.16 -45.18 0.09 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.851 -0.74 . . . . 0.0 109.85 -171.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.67 145.47 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.268 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -125.19 89.05 2.98 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 170.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 5.2 m -80.58 100.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 119.205 -0.998 . . . . 0.0 108.463 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.76 -175.86 3.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.595 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -137.79 111.8 8.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.051 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -106.35 123.28 47.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -78.68 109.62 13.06 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.069 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.95 -18.0 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.439 -0.904 . . . . 0.0 112.456 -172.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.3 -36.16 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.292 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.92 -47.58 18.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.361 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -96.3 117.36 66.22 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.2 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -102.64 6.89 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 120.896 1.064 . . . . 0.0 113.906 -169.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -92.29 -39.66 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.869 -173.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 t -78.31 -28.03 47.35 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.069 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -62.92 -31.02 72.01 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 112.094 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -80.09 -29.16 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.593 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.4 -47.0 68.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.29 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.84 -21.06 16.52 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.347 -0.941 . . . . 0.0 112.641 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.69 88.58 0.56 Allowed Glycine 0 N--CA 1.461 0.348 0 C-N-CA 119.368 -1.396 . . . . 0.0 110.32 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mm -107.28 100.11 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -109.61 10.12 25.02 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.535 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.6 t -163.64 119.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.715 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.555 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.4 pp -100.64 150.81 37.31 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.563 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.72 141.4 29.47 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 122.918 -1.701 . . . . 0.0 111.877 5.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 88' ' ' ILE . 2.3 m -111.97 123.1 49.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.838 0.828 . . . . 0.0 108.887 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.9 mm? -105.26 127.51 52.98 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.5 mt -136.67 127.04 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.2 tm? -97.54 129.33 44.7 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.646 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 19' ' ' PRO . 91.8 m-85 -114.48 159.46 20.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.065 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -130.47 -72.92 0.56 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.654 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.64 57.48 0.43 Allowed Glycine 0 N--CA 1.462 0.387 0 C-N-CA 119.428 -1.368 . . . . 0.0 111.026 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.76 41.35 83.51 Favored Glycine 0 N--CA 1.462 0.367 0 C-N-CA 119.691 -1.242 . . . . 0.0 111.991 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.6 122.73 1.45 Allowed Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.03 123.86 8.18 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.217 1.278 . . . . 0.0 110.052 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.33 -39.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.865 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -145.41 151.01 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.353 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -130.24 113.53 14.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.894 0.854 . . . . 0.0 109.418 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.99 150.13 51.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.113 0.958 . . . . 0.0 108.609 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.65 168.39 18.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 122.12 0.962 . . . . 0.0 110.778 -167.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.69 177.12 51.81 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.795 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.78 124.22 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.203 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -128.04 127.51 23.84 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -47.74 164.2 0.17 Allowed 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 122.086 1.857 . . . . 0.0 114.918 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HB2' HG13 ' A' ' 38' ' ' VAL . 31.4 ttpt -63.57 -29.24 70.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.517 174.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -68.39 -38.22 81.13 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.904 -0.719 . . . . 0.0 111.027 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -64.58 -43.3 94.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.114 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.1 mt -62.03 -49.02 77.67 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.661 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.1 -38.87 92.91 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.297 -0.961 . . . . 0.0 112.16 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.18 80.21 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.579 -0.849 . . . . 0.0 111.048 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -58.57 -52.42 65.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -73.88 -35.32 64.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.376 -0.93 . . . . 0.0 112.473 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.72 -27.46 67.93 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 120.73 -1.231 . . . . 0.0 112.598 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.82 -45.29 75.12 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.272 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.471 HG21 ' HG ' ' A' ' 77' ' ' LEU . 29.4 m -83.82 -24.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 49' ' ' LYS . 95.9 mt -75.43 -40.4 57.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.823 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.239 179.113 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.369 0.604 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p -124.93 152.35 44.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.211 1.005 . . . . 0.0 110.376 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -87.61 163.63 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.056 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.7 m -132.98 118.95 19.46 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.379 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.31 172.64 6.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.815 1.293 . . . . 0.0 110.178 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.6 t -154.12 158.2 40.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.3 p-10 -34.91 -45.87 0.28 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.95 6.36 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.439 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -67.93 -28.55 67.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -51.26 -51.33 55.11 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -67.62 -34.86 77.85 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.599 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.23 71.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.323 0.582 . . . . 0.0 112.159 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.2 pt -76.83 -28.29 17.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.274 -173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.99 -14.3 61.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.56 -87.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.898 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.16 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.137 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.28 142.09 97.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.921 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -41.4 125.66 2.7 Favored 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 122.07 1.847 . . . . 0.0 114.151 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.94 115.97 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 21' ' ' LEU . 8.2 tt -86.48 112.2 21.29 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.3 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.62 126.97 41.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.259 -0.976 . . . . 0.0 108.499 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.51 107.37 19.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.4 125.64 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -149.76 170.05 19.64 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.48 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.87 46.23 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.411 173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -30.27 66.9 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.289 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -82.35 -9.65 59.38 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.688 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 72' ' ' ILE . 6.9 t -68.92 141.07 55.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.219 1.009 . . . . 0.0 111.466 -175.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.51 -60.2 1.65 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.856 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 65.0 Cg_endo -72.91 -5.05 16.49 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 CA-C-N 119.716 1.758 . . . . 0.0 113.894 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -70.83 -25.17 62.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.369 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.88 -26.34 64.13 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.327 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.6 mtp -66.88 -29.16 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.332 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.573 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 13.5 mtp -77.84 -16.61 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.577 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -49.68 -53.62 39.72 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 60.6 Cg_endo -70.79 -36.49 7.99 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 CA-C-N 121.641 1.622 . . . . 0.0 113.62 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.8 -36.36 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.306 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -74.13 -30.25 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.688 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.2 -38.22 78.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.282 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.67 -30.31 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.182 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 29.6 t80 -79.37 -40.52 29.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.453 0.644 . . . . 0.0 112.318 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.91 74.72 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.851 -0.739 . . . . 0.0 111.558 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -85.65 -10.65 55.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.782 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -57.06 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.307 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' HB2' HG12 ' A' ' 50' ' ' VAL . 88.9 m-70 -90.22 -58.61 2.44 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.814 -0.754 . . . . 0.0 108.989 -177.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.04 -69.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.8 27.93 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.692 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.4 tppt? -145.35 -40.7 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.475 -171.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 46' ' ' HIS . 12.0 p -115.96 139.36 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.704 0.764 . . . . 0.0 110.279 -174.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 m -104.87 106.42 16.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.21 96.66 6.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.64 -178.73 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.027 0.918 . . . . 0.0 111.786 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -140.57 111.18 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.054 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.25 121.36 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -84.16 115.36 22.37 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.708 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.13 -18.88 19.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.389 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.6 -44.97 40.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.294 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.33 -39.39 62.88 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.556 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -116.05 95.74 45.36 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.57 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -93.44 3.79 3.2 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.183 1.256 . . . . 0.0 113.532 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.19 -40.01 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.445 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 t -79.44 -28.78 41.65 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.051 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -66.74 -35.07 79.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.672 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.3 t -79.08 -29.19 43.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.323 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.13 -48.88 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.099 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -80.41 -36.59 33.58 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.693 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.63 77.21 1.31 Allowed Glycine 0 N--CA 1.461 0.312 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.1 121.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.831 0.824 . . . . 0.0 109.011 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.43 -51.2 68.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.065 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -170.42 127.45 0.8 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.409 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 72' ' ' ILE . 2.0 pp -73.08 145.56 86.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.755 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 90.4 Cg_endo -80.18 141.38 57.18 Favored 'Cis proline' 0 C--N 1.324 -0.732 0 C-N-CA 123.071 -1.637 . . . . 0.0 111.26 2.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -124.33 124.03 41.5 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.91 127.25 53.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.251 -0.979 . . . . 0.0 109.68 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.79 129.89 55.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -96.52 124.54 40.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.815 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -111.36 135.77 51.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.079 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.83 -76.03 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.873 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.85 50.89 0.74 Allowed Glycine 0 N--CA 1.463 0.436 0 C-N-CA 119.524 -1.322 . . . . 0.0 110.55 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.62 43.99 11.3 Favored Glycine 0 N--CA 1.46 0.289 0 C-N-CA 119.733 -1.222 . . . . 0.0 111.086 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -158.36 119.27 1.9 Allowed Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.84 119.63 5.48 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.143 1.229 . . . . 0.0 110.8 -173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.75 -41.63 21.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -143.33 155.89 44.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.241 1.019 . . . . 0.0 110.061 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -140.3 108.42 5.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.845 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.4 pt? -122.74 153.01 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.94 167.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 122.13 0.967 . . . . 0.0 111.245 -167.242 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.36 175.43 44.82 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.95 -1.119 . . . . 0.0 110.323 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -73.92 123.68 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.598 -1.241 . . . . 0.0 108.844 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.45 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.6 pt20 -127.38 112.51 21.23 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.112 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -61.63 175.71 1.57 Allowed 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 121.41 1.407 . . . . 0.0 112.775 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.05 -29.3 68.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.539 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.49 -29.76 70.46 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.188 -1.005 . . . . 0.0 111.325 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.33 -42.0 23.76 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.958 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.89 -51.96 67.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.547 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -45.04 82.63 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.547 -168.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.77 76.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.076 0.941 . . . . 0.0 110.908 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.32 -45.83 87.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.127 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 103' ' ' VAL . 61.6 mt -85.71 -25.33 26.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -169.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.29 68.1 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.808 -1.182 . . . . 0.0 111.627 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.74 -44.6 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.654 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.1 m -86.81 -27.34 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD22 ' HG3' ' A' ' 49' ' ' LYS . 85.1 mt -74.36 -29.54 61.61 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.574 -0.85 . . . . 0.0 112.02 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.864 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 121.502 0.668 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -100.07 146.93 26.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.155 0.978 . . . . 0.0 110.217 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -94.07 164.25 13.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.782 176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 m -131.39 116.78 17.99 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.216 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mp -104.47 169.56 8.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.986 1.374 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -153.58 166.95 31.16 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -38.45 -44.34 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.35 8.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.446 -0.784 . . . . 0.0 112.414 -174.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.74 -27.24 66.62 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.156 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 5' ' ' LEU . 66.6 t80 -55.52 -47.25 76.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.186 0.517 . . . . 0.0 112.207 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.38 -35.61 81.45 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.449 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.27 -26.8 52.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.973 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.71 51.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.311 0.577 . . . . 0.0 112.178 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 pt -74.92 -25.78 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.403 -174.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -74.57 -10.87 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.53 -87.64 0.02 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.253 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.33 -69.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -78.31 167.94 31.46 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.141 -169.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.81 136.35 65.45 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.955 1.77 . . . . 0.0 113.845 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -132.44 114.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 21' ' ' LEU . 9.6 tt -85.61 117.44 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.015 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.95 131.19 37.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HA ' HD22 ' A' ' 75' ' ' LEU . 2.5 m-20 -103.45 106.22 16.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -82.69 122.15 27.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -152.84 175.8 12.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.58 -0.848 . . . . 0.0 109.184 -170.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.87 44.77 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.619 172.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.48 63.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.607 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -85.81 -2.29 58.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.527 173.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.4 t -64.28 154.52 34.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.285 1.041 . . . . 0.0 111.834 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.536 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -100.51 -64.87 0.8 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.972 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.6 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 CA-C-N 119.23 1.515 . . . . 0.0 114.187 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 m -68.58 -29.51 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.948 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.23 -27.94 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.1 -0.64 . . . . 0.0 112.036 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.22 -45.54 87.8 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.074 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -85.48 1.7 47.74 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.056 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.07 -52.45 52.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 121.141 -0.974 . . . . 0.0 112.797 173.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 73.4 Cg_endo -73.52 -23.32 17.36 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-N 121.484 1.566 . . . . 0.0 113.975 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.3 m -73.62 -35.9 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.864 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.61 -38.15 90.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.56 -41.41 88.68 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.689 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.67 -29.15 70.42 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.084 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 15.7 t80 -76.55 -43.08 40.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.635 0.731 . . . . 0.0 112.166 -173.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.84 69.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.461 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.95 -5.45 53.11 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.75 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.25 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.408 -0.807 . . . . 0.0 110.079 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.452 ' HB2' HG12 ' A' ' 50' ' ' VAL . 76.5 m-70 -89.06 -51.37 5.64 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.794 -0.762 . . . . 0.0 108.945 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.43 -79.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 168.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -81.47 26.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.754 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.9 tppt? -141.29 -40.89 0.38 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.697 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.9 p -110.2 140.58 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.702 0.763 . . . . 0.0 110.198 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 m -110.21 107.58 17.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 168.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.31 94.66 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.9 -179.44 4.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.0 0.905 . . . . 0.0 111.661 -169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.52 114.32 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.768 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.58 125.13 49.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -83.71 125.31 31.75 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.3 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.54 -26.23 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.853 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -79.32 -45.18 20.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.944 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.92 -40.75 46.15 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.92 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -111.52 104.84 56.53 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.855 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -93.26 -6.71 2.66 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.234 1.289 . . . . 0.0 113.908 -170.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -79.77 -44.84 19.92 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.536 -171.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -30.72 31.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.874 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -67.52 -32.21 72.85 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.587 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -80.06 -30.23 39.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.577 -0.849 . . . . 0.0 111.219 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.57 -47.0 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.329 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.42 -33.6 32.08 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.46 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.08 71.76 1.25 Allowed Glycine 0 N--CA 1.46 0.292 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mm -83.34 106.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.1 mtt -86.05 -25.86 25.67 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.457 -175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -156.93 115.02 3.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.715 -1.194 . . . . 0.0 110.755 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.598 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -82.05 146.35 55.11 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.816 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.5 130.68 16.52 Favored 'Cis proline' 0 C--N 1.325 -0.67 0 C-N-CA 123.129 -1.613 . . . . 0.0 111.536 4.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.3 m -106.31 116.75 32.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 23' ' ' ASP . 12.7 mt -102.72 126.46 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.707 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.53 126.68 58.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -94.15 125.09 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.634 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.36 146.79 32.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -106.47 -75.11 0.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.907 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.86 56.94 0.5 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.494 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.53 43.73 35.83 Favored Glycine 0 N--CA 1.461 0.347 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.206 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.46 122.38 1.77 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -176.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.74 122.2 8.33 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.25 1.3 . . . . 0.0 111.001 -174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.56 -58.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.171 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -145.54 167.79 22.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 0.0 109.926 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -139.93 117.1 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.285 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -127.56 151.66 48.61 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 167.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -137.94 166.49 23.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.29 -165.672 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -175.35 47.79 Favored Glycine 0 N--CA 1.46 0.263 0 C-N-CA 119.823 -1.179 . . . . 0.0 110.809 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -74.9 129.44 37.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.304 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.427 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.9 pt20 -133.14 120.06 15.95 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -54.77 163.15 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.541 1.494 . . . . 0.0 112.674 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -61.32 -29.02 69.62 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.151 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -73.3 -40.59 64.4 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.954 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -66.73 -37.06 83.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.335 1.064 . . . . 0.0 111.104 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 42.3 tp -71.84 -38.45 70.12 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.204 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.75 -45.32 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.82 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.835 0.826 . . . . 0.0 111.227 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.95 -48.34 73.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.802 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 55.4 mt -81.79 -21.81 37.51 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.674 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.88 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.436 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.07 -43.15 79.26 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.73 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 100' ' ' LEU . 28.5 m -83.11 -29.38 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.493 -0.883 . . . . 0.0 113.103 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' A' ' 49' ' ' LYS . 84.8 mt -76.73 -30.11 56.48 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.239 -173.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.142 -179.238 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 121.437 0.637 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -110.96 153.86 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.158 0.98 . . . . 0.0 110.092 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -93.69 164.56 13.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.179 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 m -134.56 118.23 17.04 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.66 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.56 174.86 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.843 1.306 . . . . 0.0 110.065 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.5 t -159.06 160.82 36.24 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.9 p-10 -34.28 -50.66 0.42 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -170.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.13 -45.6 12.82 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.59 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.77 -25.86 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.18 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.24 -47.45 72.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.32 -39.57 85.88 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.237 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -68.0 -35.56 78.51 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.711 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.31 0.576 . . . . 0.0 112.138 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.6 pt -77.07 -27.94 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.916 -0.714 . . . . 0.0 112.415 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.82 -10.69 60.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.62 -89.57 0.02 OUTLIER Glycine 0 N--CA 1.461 0.349 0 C-N-CA 119.809 -1.186 . . . . 0.0 112.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.1 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.004 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.19 161.09 80.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.52 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.15 136.37 72.96 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.744 1.629 . . . . 0.0 112.194 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.29 109.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 100' ' ' LEU . 1.1 tt -86.23 110.14 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.518 -1.273 . . . . 0.0 108.334 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' HD23 ' A' ' 21' ' ' LEU . 88.5 t -83.51 125.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 119.389 -0.924 . . . . 0.0 109.139 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.49 104.39 16.42 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -81.52 121.37 26.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -149.59 179.73 7.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.802 0.811 . . . . 0.0 109.518 -171.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.69 158.29 43.8 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.112 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.8 65.43 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.037 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -81.93 -2.99 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.63 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD13 ' A' ' 72' ' ' ILE . 18.2 t -65.46 141.84 58.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.383 1.087 . . . . 0.0 112.044 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.97 -59.73 1.75 Allowed Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.829 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 68.7 Cg_endo -73.96 -13.0 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 119.806 1.803 . . . . 0.0 113.797 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.1 m -68.62 -24.96 64.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.271 -0.971 . . . . 0.0 111.144 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.74 -29.03 70.0 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.278 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.67 -45.11 91.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.914 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 3.4 ptm -86.96 3.05 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.599 -0.84 . . . . 0.0 113.248 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.14 -52.64 63.91 Favored Pre-proline 0 C--N 1.322 -0.604 0 O-C-N 120.743 -1.223 . . . . 0.0 111.727 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 96.2 Cg_endo -77.3 -26.74 7.16 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 CA-C-N 121.275 1.491 . . . . 0.0 113.505 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -34.53 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.238 -0.914 . . . . 0.0 111.173 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.92 -33.29 63.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -65.41 -37.18 86.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.802 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.92 -35.39 80.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.715 0.769 . . . . 0.0 110.869 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 39.0 t80 -74.16 -44.51 53.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.487 0.66 . . . . 0.0 112.509 -174.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.18 66.96 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.819 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.59 -33.59 60.59 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.884 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -55.07 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.584 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.6 m-70 -85.03 -54.12 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.361 -176.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.74 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 169.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -85.9 36.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.993 0.901 . . . . 0.0 110.597 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -146.83 -39.57 0.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.557 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.3 p -110.03 144.12 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 0.0 109.924 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 m -109.9 101.65 10.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -85.16 95.49 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.73 -179.1 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.795 0.807 . . . . 0.0 111.729 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -142.78 115.11 8.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.209 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.02 127.34 53.71 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.94 116.71 23.51 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.356 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.8 -17.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.06 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.14 -45.96 17.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.731 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.99 -38.51 52.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.897 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -109.98 107.32 58.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.299 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -95.06 -6.9 1.77 Allowed 'Trans proline' 0 C--N 1.327 -0.577 0 C-N-CA 121.185 1.256 . . . . 0.0 113.859 -169.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.79 -44.98 16.23 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.341 -0.943 . . . . 0.0 112.238 -170.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -80.8 -27.29 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.798 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -69.94 -30.47 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.393 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -80.18 -34.39 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.905 174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.72 -45.16 95.32 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.46 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.6 -31.21 18.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.437 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.6 68.96 1.36 Allowed Glycine 0 N--CA 1.46 0.278 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.259 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.84 105.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.8 mtt -91.53 -24.75 19.53 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.449 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -146.02 103.82 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.484 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.644 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -78.23 150.43 77.28 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.503 173.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.38 146.05 76.03 Favored 'Cis proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.173 -1.595 . . . . 0.0 110.823 1.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.406 HG23 HG22 ' A' ' 88' ' ' ILE . 16.6 m -125.45 124.26 41.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.102 0.953 . . . . 0.0 109.263 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.22 122.55 44.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mt -135.06 130.84 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.041 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.88 130.89 38.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' N ' HD13 ' A' ' 77' ' ' LEU . 93.1 m-85 -121.09 131.88 54.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -106.62 -68.38 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.068 -1.053 . . . . 0.0 110.353 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.13 50.15 0.81 Allowed Glycine 0 N--CA 1.462 0.392 0 C-N-CA 119.591 -1.29 . . . . 0.0 111.021 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.03 44.3 12.16 Favored Glycine 0 N--CA 1.461 0.367 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.671 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -165.38 126.16 1.34 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 C-N-CA 121.268 1.312 . . . . 0.0 110.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.64 -51.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.605 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.76 161.85 37.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.993 0.901 . . . . 0.0 109.643 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -141.27 118.41 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.935 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -124.68 159.06 31.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 171.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.511 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.02 156.48 25.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.97 0.891 . . . . 0.0 110.781 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.19 -168.89 31.47 Favored Glycine 0 N--CA 1.462 0.385 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.609 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -81.48 132.75 35.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.305 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -132.53 114.03 14.37 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.42 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -57.79 171.47 1.5 Allowed 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 121.974 1.783 . . . . 0.0 113.384 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.91 -25.51 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.886 172.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.97 -36.94 85.18 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.549 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -79.56 -39.99 30.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.11 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mm? -58.34 -56.75 18.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.455 174.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.795 -169.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.33 86.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.955 0.883 . . . . 0.0 111.192 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.609 HE21 HD22 ' A' ' 87' ' ' LEU . 4.9 tp60 -62.3 -47.24 85.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.077 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 21' ' ' LEU . 3.9 mm? -73.99 -28.86 61.67 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.612 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.13 68.38 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 120.847 -1.158 . . . . 0.0 111.969 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.66 -41.11 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.685 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.452 HG21 ' HG ' ' A' ' 77' ' ' LEU . 33.7 m -84.67 -31.51 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.729 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.07 -29.81 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.944 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.919 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.645 0.735 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p -80.11 148.67 30.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.028 0.918 . . . . 0.0 110.701 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 tpt -91.02 162.77 14.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.1 m -130.69 113.15 13.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.94 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.49 170.75 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.262 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.68 159.49 43.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.6 p-10 -38.06 -43.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.509 -0.744 . . . . 0.0 112.194 -175.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.26 -30.52 71.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.342 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.84 -52.98 21.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.307 0.575 . . . . 0.0 112.42 175.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.771 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -77.88 -34.62 51.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.277 -0.969 . . . . 0.0 111.232 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.18 82.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 pt -72.47 -23.49 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.091 -0.643 . . . . 0.0 112.645 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -76.33 -13.71 60.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.28 -85.0 0.02 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.962 -173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.24 -58.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 118.799 -1.161 . . . . 0.0 112.046 -175.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 172.89 4.43 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.697 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -55.94 139.44 84.53 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 C-N-CA 121.763 1.642 . . . . 0.0 113.986 -177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -134.08 113.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 tp -87.4 114.84 24.37 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.345 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.3 t -97.32 130.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 118.784 -1.167 . . . . 0.0 108.665 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 117.56 34.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -94.34 118.85 32.22 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -150.8 173.11 14.6 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.795 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.56 153.69 48.71 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.305 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.808 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -86.7 1.79 50.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.54 ' SG ' HD13 ' A' ' 72' ' ' ILE . 8.3 t -72.96 146.0 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.334 1.064 . . . . 0.0 111.914 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.56 -59.78 1.5 Allowed Glycine 0 CA--C 1.521 0.46 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.833 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.43 -6.66 16.5 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 119.672 1.736 . . . . 0.0 113.787 -172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 m -70.4 -24.32 62.92 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.091 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -63.75 -27.07 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.67 -44.97 94.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.738 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.542 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.8 ptm -85.01 4.75 32.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.49 -49.99 51.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 173.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 71.9 Cg_endo -77.0 -30.23 4.61 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 121.591 1.604 . . . . 0.0 113.934 -176.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.37 -33.8 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 118.687 -1.205 . . . . 0.0 110.734 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -63.11 -34.72 78.21 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.22 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.13 -30.27 67.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.203 173.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 19.0 t80 -72.79 -45.82 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.494 0.664 . . . . 0.0 112.371 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.66 69.62 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.273 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -80.91 -10.26 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.311 -0.956 . . . . 0.0 111.841 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.36 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.442 -0.786 . . . . 0.0 110.724 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 86.8 m-70 -85.13 -51.07 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.258 -177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.22 -84.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 168.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.8 35.29 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.935 0.874 . . . . 0.0 111.264 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 15.7 tppt? -144.91 -44.26 0.23 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -170.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.73 166.26 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.588 1.185 . . . . 0.0 111.308 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -127.15 91.47 3.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 165.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -81.15 93.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.32 174.25 6.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.807 0.813 . . . . 0.0 111.3 -170.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -133.32 113.01 12.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.666 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -114.39 127.09 55.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -84.42 120.76 26.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.818 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.1 -23.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 119.512 -0.875 . . . . 0.0 112.203 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.25 -43.26 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.947 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.16 -36.79 29.76 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.784 -0.766 . . . . 0.0 112.18 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -113.75 102.21 54.58 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.402 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -97.07 -9.4 0.74 Allowed 'Trans proline' 0 C--N 1.326 -0.615 0 C-N-CA 120.99 1.127 . . . . 0.0 114.144 -169.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.35 -43.22 28.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.098 -1.041 . . . . 0.0 112.063 -172.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.6 t -77.41 -36.8 52.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.237 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 t -67.93 -30.18 69.44 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.5 t -79.62 -32.13 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.081 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -64.07 -43.27 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.205 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -81.68 -36.59 28.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.75 72.15 1.12 Allowed Glycine 0 N--CA 1.459 0.223 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.009 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.0 88.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 74.8 mtm -85.78 -11.84 52.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.608 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -148.4 87.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.815 -174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.54 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -70.37 147.62 95.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.865 171.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.78 146.5 81.76 Favored 'Cis proline' 0 C--N 1.324 -0.721 0 C-N-CA 123.409 -1.496 . . . . 0.0 111.74 3.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 HG22 ' A' ' 88' ' ' ILE . 15.5 m -138.96 126.04 21.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 35' ' ' MET . 18.3 mt -109.96 140.85 43.5 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.592 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.402 HG12 ' HG3' ' A' ' 86' ' ' GLN . 50.5 mt -134.69 125.24 45.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.81 125.32 41.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.294 -0.963 . . . . 0.0 108.653 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -107.59 137.32 45.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -106.65 -67.29 0.95 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.524 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.47 55.38 0.55 Allowed Glycine 0 N--CA 1.462 0.401 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.65 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.98 39.76 45.36 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.826 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -163.93 132.02 2.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.4 119.1 5.12 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.307 1.338 . . . . 0.0 110.522 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.54 -46.51 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.43 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -148.24 117.09 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.026 0.917 . . . . 0.0 108.976 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.402 ' HG3' HG12 ' A' ' 76' ' ' ILE . 38.7 tt0 -99.38 101.86 13.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.758 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.708 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.3 pt? -96.46 148.25 22.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.27 157.08 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.982 0.896 . . . . 0.0 110.645 -168.512 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.78 -165.89 38.81 Favored Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.582 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -78.19 120.35 22.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.193 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.542 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -117.47 108.85 42.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -58.04 172.66 1.16 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 121.866 1.711 . . . . 0.0 113.405 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.69 -38.84 70.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.211 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -64.06 -31.14 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.36 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.42 -42.92 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.562 173.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.649 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -54.35 -52.85 60.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.912 174.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.1 -40.85 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.453 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.25 76.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.882 0.848 . . . . 0.0 110.972 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.016 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.1 mt -90.22 -30.19 17.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -167.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.41 70.53 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.753 -1.217 . . . . 0.0 111.439 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.62 -44.09 91.64 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.352 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.62 -26.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD22 ' HG3' ' A' ' 49' ' ' LYS . 88.1 mt -76.74 -28.36 55.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.58 -173.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.708 -178.546 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 121.479 0.657 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p -141.12 154.95 46.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.978 0.894 . . . . 0.0 109.304 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ttt -97.42 161.34 13.83 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.797 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -135.37 121.14 19.63 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.106 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.13 175.5 5.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.531 1.158 . . . . 0.0 110.129 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.2 t -157.28 159.18 37.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' THR . 17.8 p-10 -36.46 -44.74 0.45 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.79 -48.75 11.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.458 -0.776 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -70.98 -29.98 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.12 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -48.81 -45.39 40.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.756 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.53 -32.24 70.14 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.332 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -49.78 36.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.323 0.582 . . . . 0.0 112.143 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 pt -74.25 -26.02 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.926 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -72.1 -7.94 51.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.85 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.461 0.343 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.108 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -147.89 -53.34 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.911 -1.116 . . . . 0.0 112.531 -173.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 16.0 ptpt -133.97 -177.63 0.73 Allowed Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.68 -169.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 22.2 Cg_exo -52.58 135.69 56.12 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.167 1.911 . . . . 0.0 116.075 -173.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.19 121.61 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -82.16 134.34 35.31 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.36 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.58 128.63 66.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 75' ' ' LEU . 1.1 m-20 -102.53 111.76 24.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -86.08 116.63 24.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -146.28 175.65 10.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.763 -169.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.17 153.32 43.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.35 69.14 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.97 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -82.64 1.33 38.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.66 132.67 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.316 1.055 . . . . 0.0 111.899 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -75.36 -61.76 2.9 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.405 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 54.4 Cg_endo -67.75 -15.54 44.48 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 CA-C-N 119.774 1.787 . . . . 0.0 114.227 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 15.9 m -68.17 -14.58 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.702 174.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.94 -39.26 77.64 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.783 -0.573 . . . . 0.0 112.436 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.3 mtp -67.34 -41.89 84.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.572 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 56.0 mtp -74.76 -9.19 58.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.9 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -51.32 -56.26 21.9 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 94.6 Cg_endo -75.75 -28.26 8.14 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 CA-C-N 121.623 1.615 . . . . 0.0 113.906 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.78 -32.63 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.723 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.85 -36.03 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.281 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.0 -45.28 89.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.678 175.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.22 -29.51 70.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.36 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 17.0 t80 -66.84 -43.0 84.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.57 0.7 . . . . 0.0 111.945 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -27.16 67.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.905 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -89.58 -10.36 46.33 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.842 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.59 -56.5 3.98 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.701 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.0 -44.62 16.43 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.11 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 73.32 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 168.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.84 -37.2 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.173 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.3 tppt? -65.05 -31.04 72.07 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.927 -0.709 . . . . 0.0 111.903 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.3 151.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.742 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -123.75 104.49 9.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 t -84.54 95.92 4.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.33 -175.46 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.802 0.811 . . . . 0.0 110.624 -173.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -142.28 119.0 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.858 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.75 122.59 40.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 171.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.75 126.45 32.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.887 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.94 -33.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.744 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.73 -35.58 79.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.965 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.33 -51.59 6.86 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.937 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -102.4 116.39 62.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.314 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -101.51 -11.46 0.19 Allowed 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 114.71 1.004 . . . . 0.0 114.71 -167.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.24 -40.31 21.79 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.142 -1.023 . . . . 0.0 112.995 -170.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -80.55 -35.02 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.633 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -67.76 -29.28 68.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 t -81.53 -32.92 32.08 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.489 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.77 -45.55 93.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.31 -38.15 51.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.914 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.66 71.07 1.03 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.176 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.43 HD12 HG21 ' A' ' 74' ' ' THR . 26.3 mm -93.18 104.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.9 mtt -94.0 -21.03 19.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -152.19 113.74 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.138 -174.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -86.14 149.06 49.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.022 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 97.3 Cg_endo -82.02 154.83 78.66 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 123.194 -1.586 . . . . 0.0 112.443 5.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 88' ' ' ILE . 5.6 m -142.21 119.24 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.004 -175.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.1 mm? -99.46 131.43 45.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.115 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -139.7 129.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.27 139.55 31.42 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.96 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.86 137.72 52.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.784 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -92.71 -75.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.853 -1.139 . . . . 0.0 109.59 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.92 58.6 0.7 Allowed Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.739 -1.22 . . . . 0.0 110.847 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.43 41.07 6.23 Favored Glycine 0 N--CA 1.462 0.372 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.773 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.97 126.68 0.65 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.88 125.99 9.11 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.31 1.34 . . . . 0.0 110.783 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.99 -65.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.819 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -147.13 154.23 40.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.717 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -125.98 121.45 33.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.024 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 139.19 44.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.69 173.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.388 -165.103 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.95 -166.59 31.26 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 72.5 t80 -90.28 121.85 32.66 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.85 -1.14 . . . . 0.0 108.899 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.38 126.87 25.06 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 172.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.03 171.9 0.21 Allowed 'Trans proline' 0 CA--C 1.513 -0.537 0 C-N-CA 121.809 1.673 . . . . 0.0 113.152 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -54.92 -40.47 69.89 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.869 -0.733 . . . . 0.0 112.213 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -76.16 -37.23 58.19 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.58 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.89 -43.66 87.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.086 0.946 . . . . 0.0 110.522 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 39.6 tp -65.72 -47.82 74.03 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.668 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -61.4 -38.44 87.09 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.463 -0.895 . . . . 0.0 112.014 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 91.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.696 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -69.45 -37.49 77.37 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.738 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.8 -36.32 62.48 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.816 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.85 65.89 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.45 -0.9 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.27 -38.16 63.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.738 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.4 m -78.41 -25.18 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 121.434 -0.791 . . . . 0.0 112.941 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' ' 49' ' ' LYS . 74.4 mt -77.88 -24.76 48.35 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.989 -172.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.756 178.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.764 0.793 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.0 p -86.34 162.24 18.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.275 1.036 . . . . 0.0 111.405 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -96.61 160.59 14.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.613 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -137.4 115.91 12.0 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.046 175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.46 175.91 5.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.811 1.291 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 t -157.82 152.98 25.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -33.35 -47.28 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -168.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.88 -47.61 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.255 -0.903 . . . . 0.0 112.465 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -71.02 -27.89 64.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.105 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -52.5 -50.87 61.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.202 0.525 . . . . 0.0 112.036 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -68.06 -39.7 82.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.003 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -63.96 -33.65 76.2 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.532 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.61 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.817 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.72 -26.2 21.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.535 -172.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -71.86 -18.47 62.06 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.862 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -90.62 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 C-N-CA 119.461 -1.352 . . . . 0.0 112.001 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.51 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.154 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.48 131.89 95.22 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.895 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.66 133.21 43.74 Favored 'Trans proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.929 1.753 . . . . 0.0 113.304 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.16 121.02 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -83.05 121.57 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.638 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -95.77 135.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.533 174.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.62 108.11 16.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -85.82 127.09 34.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -154.66 176.3 12.59 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.186 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.24 153.77 43.14 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.103 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.7 -24.21 59.9 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.832 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -89.9 -4.2 57.66 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.126 -0.63 . . . . 0.0 112.501 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.93 142.92 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.51 1.148 . . . . 0.0 112.16 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.52 -60.16 1.84 Allowed Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.709 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 41.9 Cg_endo -65.38 -16.33 53.85 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 119.932 1.866 . . . . 0.0 113.952 -177.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -74.13 -18.72 60.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.221 -0.924 . . . . 0.0 111.734 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 33' ' ' ARG . 38.7 mtp180 -60.51 -31.54 70.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.9 mtp -79.38 -30.16 42.39 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.695 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.3 mtp -74.38 -8.54 56.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.61 -0.836 . . . . 0.0 113.032 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.94 -55.89 28.95 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 60.8 Cg_endo -72.73 -21.2 21.96 Favored 'Trans proline' 0 C--N 1.328 -0.508 0 CA-C-N 121.619 1.614 . . . . 0.0 114.51 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.37 -33.87 11.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.709 -1.245 . . . . 0.0 111.151 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.61 -38.72 70.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.64 -38.63 91.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.474 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.78 -26.49 66.12 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.509 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.2 t80 -72.14 -41.99 66.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.622 0.725 . . . . 0.0 112.058 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.98 -26.65 66.03 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.801 -0.759 . . . . 0.0 111.584 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -84.29 -15.22 47.46 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.259 -0.977 . . . . 0.0 111.751 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.92 -56.77 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.581 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' HB2' HG12 ' A' ' 50' ' ' VAL . 83.6 m-70 -84.99 -39.82 17.61 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.541 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.56 -98.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 167.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -88.55 20.05 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.086 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -110.45 -43.77 3.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.8 p -107.25 128.66 62.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.545 0.688 . . . . 0.0 109.269 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -92.75 100.93 13.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.2 92.59 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.13 178.61 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 0.0 110.381 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -141.7 117.04 10.14 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.799 -170.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -117.38 120.48 38.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -83.03 118.42 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.606 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.44 -24.02 27.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.228 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -73.48 -38.57 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.758 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.57 -52.67 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.258 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.25 124.83 52.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.482 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -101.85 -21.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.328 -0.538 0 N-CA-C 114.539 0.938 . . . . 0.0 114.539 -167.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -83.26 -36.96 24.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.895 -1.122 . . . . 0.0 113.311 -168.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -73.95 -29.54 62.06 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.914 -173.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.435 ' HA ' HG12 ' A' ' 69' ' ' ILE . 9.8 t -70.07 -33.54 72.05 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.344 -0.943 . . . . 0.0 111.978 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -82.06 -28.54 32.36 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.935 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.22 -46.21 71.18 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.506 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -83.88 -30.15 26.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.263 -0.975 . . . . 0.0 112.88 -174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.69 76.03 1.2 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -168.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 64' ' ' THR . 37.8 mm -69.22 120.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.471 ' HB2' HG21 ' A' ' 88' ' ' ILE . 94.5 mtp -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.049 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' MET . 37.1 t 174.5 128.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 72' ' ' ILE . 2.0 pp -64.53 140.08 97.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 118.365 -1.334 . . . . 0.0 108.485 174.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.27 131.53 23.02 Favored 'Cis proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.549 -1.438 . . . . 0.0 111.685 5.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 88' ' ' ILE . 21.5 m -122.49 118.57 28.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.69 124.42 51.19 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.453 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.8 mt -138.2 128.45 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.014 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tt -92.99 137.35 32.44 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.278 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -118.2 144.76 45.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.787 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -118.93 -63.44 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.604 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.36 52.63 0.8 Allowed Glycine 0 N--CA 1.463 0.452 0 C-N-CA 119.488 -1.339 . . . . 0.0 110.93 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.03 45.97 18.25 Favored Glycine 0 N--CA 1.462 0.374 0 C-N-CA 119.735 -1.221 . . . . 0.0 111.088 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -166.08 120.96 0.91 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 -173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.93 114.07 3.45 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.256 1.304 . . . . 0.0 110.337 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.5 t -68.04 -52.2 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.914 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.59 156.59 45.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.113 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -138.35 112.65 8.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.112 -173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -140.41 155.55 46.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.005 0.907 . . . . 0.0 109.374 169.717 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -143.4 -175.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.443 -165.321 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.58 -171.32 55.15 Favored Glycine 0 N--CA 1.462 0.428 0 C-N-CA 119.945 -1.121 . . . . 0.0 111.284 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -80.35 127.46 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.216 -1.393 . . . . 0.0 108.48 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.679 HE22 HD13 ' A' ' 87' ' ' LEU . 10.1 pt20 -137.55 124.57 13.7 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 89.6 Cg_exo -55.9 173.97 0.35 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 121.429 1.419 . . . . 0.0 113.544 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.73 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.337 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.69 -33.9 77.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.366 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -70.11 -38.66 75.68 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.867 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.3 mt -67.27 -46.22 74.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.09 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.005 -171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.31 74.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.982 0.896 . . . . 0.0 110.951 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.468 ' HG2' HD21 ' A' ' 87' ' ' LEU . 6.8 tp-100 -59.87 -51.28 70.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 78.3 mt -82.0 -27.71 32.99 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.848 -167.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -28.03 69.74 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.921 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -75.5 -36.68 60.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.985 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 100' ' ' LEU . 11.2 m -76.96 -25.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.531 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.92 -26.49 60.54 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.026 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 171.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.7 p -83.02 149.12 27.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.391 1.091 . . . . 0.0 110.895 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.5 tpt -97.32 166.35 11.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.322 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.3 m -132.74 118.09 18.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.963 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.35 169.76 8.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.77 1.271 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -159.54 154.47 24.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.82 -43.17 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -169.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.65 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.377 -0.827 . . . . 0.0 112.197 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -74.11 -28.81 61.53 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.356 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -49.58 -50.04 44.05 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.35 -42.31 83.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.376 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.1 -32.12 73.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.425 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.7 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.511 0.672 . . . . 0.0 111.667 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 pt -82.13 -19.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.168 -0.613 . . . . 0.0 112.238 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -74.88 -15.6 60.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.52 -86.37 0.03 OUTLIER Glycine 0 N--CA 1.463 0.437 0 C-N-CA 119.653 -1.261 . . . . 0.0 112.254 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -169.52 -50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.637 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -79.62 141.84 56.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.193 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -38.54 124.78 0.87 Allowed 'Trans proline' 0 C--N 1.326 -0.606 0 C-N-CA 122.529 2.152 . . . . 0.0 115.583 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.41 124.45 67.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD13 HD11 ' A' ' 100' ' ' LEU . 45.9 tp -84.63 135.49 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.549 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.27 130.21 67.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.74 111.42 24.13 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 73.0 m-85 -87.93 118.42 27.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -149.55 174.46 12.5 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.071 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.4 151.21 43.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.896 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.5 67.95 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.497 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.8 p-90 -82.46 8.89 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.7 t -78.07 144.92 36.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.554 1.168 . . . . 0.0 112.646 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.1 -56.49 2.05 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.911 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 80.2 Cg_endo -78.04 -7.07 16.21 Favored 'Trans proline' 0 C--N 1.327 -0.567 0 CA-C-N 119.933 1.867 . . . . 0.0 113.911 -173.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.66 -14.47 60.36 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.368 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -63.22 -29.78 71.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.836 -0.54 . . . . 0.0 111.75 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.7 mtt -63.54 -46.61 85.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.246 -0.582 . . . . 0.0 111.155 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 5.2 ptp -85.35 -3.96 59.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.87 -51.3 47.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.488 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 61.3 Cg_endo -73.16 -25.95 15.37 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 CA-C-N 120.876 1.349 . . . . 0.0 114.134 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.07 -39.25 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 120.179 -1.576 . . . . 0.0 110.778 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' SD ' ' A' ' 35' ' ' MET . 73.3 mt -71.27 -35.68 71.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.11 -34.81 73.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.826 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.02 -29.68 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.722 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.3 t80 -74.47 -40.05 62.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.438 0.637 . . . . 0.0 112.543 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.21 -32.56 72.86 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.522 -0.871 . . . . 0.0 111.183 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -94.53 6.51 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.531 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 -54.35 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.991 0.9 . . . . 0.0 109.217 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 72.7 m-70 -92.83 -52.46 4.6 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 70.93 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.391 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -84.95 44.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.201 1.0 . . . . 0.0 109.965 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -152.22 -51.65 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.4 m -92.6 152.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.408 1.099 . . . . 0.0 111.282 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -112.98 91.5 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 161.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.67 93.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.06 178.53 4.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.926 0.87 . . . . 0.0 110.897 -170.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -137.29 105.93 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.594 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.4 tm? -108.96 115.56 30.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -81.69 127.75 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.873 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 69' ' ' ILE . 29.4 m -71.42 -17.82 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.981 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.4 -39.57 53.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.999 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -86.73 -53.28 5.03 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.658 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -92.28 127.48 48.78 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.301 -170.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -98.6 -27.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.079 1.186 . . . . 0.0 114.026 -168.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.73 -44.58 20.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.632 -168.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 t -77.97 -31.97 51.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.075 -1.05 . . . . 0.0 111.453 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -68.08 -37.82 81.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.867 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 t -81.5 -31.16 32.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.718 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.61 -41.32 97.29 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.776 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.44 -30.46 25.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.587 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 68.71 1.17 Allowed Glycine 0 N--CA 1.459 0.221 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.287 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 74' ' ' THR . 17.7 mm -100.37 93.03 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.165 -176.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 62.2 mtt -123.69 39.27 4.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.508 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -161.65 70.75 0.35 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.776 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.695 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pp -74.38 144.25 80.91 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.595 176.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 95.2 Cg_endo -83.88 141.14 37.72 Favored 'Cis proline' 0 C--N 1.322 -0.82 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.342 7.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 88' ' ' ILE . 5.2 m -123.89 117.04 23.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.838 0.828 . . . . 0.0 109.377 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -99.74 124.96 45.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.93 124.97 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -94.34 134.85 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.232 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 78.2 m-85 -110.48 158.11 18.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.575 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -138.08 -66.02 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.13 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.08 63.52 0.44 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.65 -1.262 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 37.44 93.82 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 119.638 -1.267 . . . . 0.0 111.664 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -164.14 123.02 1.26 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -171.315 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 59.2 Cg_endo -70.7 119.92 6.69 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.42 1.413 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.1 -46.67 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.011 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.36 149.29 37.52 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.601 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -135.96 122.35 20.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.644 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.8 pt? -134.88 150.4 50.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.581 HG22 HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -136.63 164.82 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.975 0.893 . . . . 0.0 110.998 -165.381 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.91 -179.15 50.18 Favored Glycine 0 N--CA 1.461 0.36 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.38 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.56 139.52 58.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.306 1.05 . . . . 0.0 109.936 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' HG2' ' CE ' ' A' ' 35' ' ' MET . 8.9 pt20 -145.27 116.34 5.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.25 169.09 1.67 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.359 1.373 . . . . 0.0 113.957 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -54.63 -39.52 68.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.094 176.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.83 -28.58 69.09 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.146 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -71.74 -42.58 67.1 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.26 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -56.62 -50.51 71.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 119.696 -0.801 . . . . 0.0 110.996 174.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.77 -43.76 79.05 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.497 -0.881 . . . . 0.0 112.244 -169.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.24 82.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.002 0.906 . . . . 0.0 111.087 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -61.58 -46.37 90.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.382 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.579 HD11 HD13 ' A' ' 21' ' ' LEU . 3.1 mm? -79.26 -39.41 33.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.585 -0.846 . . . . 0.0 113.203 -173.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.75 69.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.857 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.98 -46.12 92.02 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.803 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.7 -26.0 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.5 mt -73.81 -16.06 61.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.15 -177.908 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.536 0.684 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 p -118.8 145.58 45.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.937 0.875 . . . . 0.0 109.785 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ttt -107.72 162.67 13.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.2 m -131.76 117.87 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.095 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.25 169.35 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.909 1.338 . . . . 0.0 110.851 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -149.56 160.88 43.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.765 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -33.65 -48.83 0.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.19 -52.51 6.2 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.078 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -67.43 -29.02 68.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.374 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HE1' HG11 ' A' ' 22' ' ' VAL . 83.1 t80 -50.59 -51.08 51.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.992 0.425 . . . . 0.0 112.13 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 68.1 mt-30 -61.32 -49.99 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.629 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.33 -37.92 85.03 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.538 -0.865 . . . . 0.0 112.038 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.23 74.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.311 0.576 . . . . 0.0 112.436 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 pt -75.39 -34.03 29.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.611 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 91.5 mm-40 -68.38 -12.41 61.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.4 -88.52 0.03 OUTLIER Glycine 0 CA--C 1.52 0.399 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.034 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -165.98 -53.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.757 -1.177 . . . . 0.0 112.985 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -75.86 168.04 31.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.524 -167.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -60.76 134.47 54.1 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 121.823 1.682 . . . . 0.0 112.997 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -141.02 113.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -81.74 105.13 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.082 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG11 ' HE1' ' A' ' 10' ' ' PHE . 86.3 t -80.86 122.09 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 174.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.91 109.29 21.67 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -84.76 126.67 33.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -162.78 176.19 10.52 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.444 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.6 151.53 49.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 169.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.56 -25.35 64.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.287 -0.965 . . . . 0.0 112.231 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -87.79 -5.18 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.527 -0.733 . . . . 0.0 112.918 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.3 t -54.71 140.24 36.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.456 1.122 . . . . 0.0 112.962 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.5 -61.91 2.02 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.988 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.35 -16.28 35.06 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 CA-C-N 119.988 1.894 . . . . 0.0 113.469 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 5.9 m -69.11 -19.71 64.05 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.394 -0.922 . . . . 0.0 111.128 173.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.85 -34.72 76.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.225 0.536 . . . . 0.0 111.681 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.6 mtp -63.42 -53.16 56.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.125 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.401 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.6 ptm -84.65 2.62 40.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.39 -53.19 47.72 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 121.111 -0.993 . . . . 0.0 112.415 174.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 84.4 Cg_endo -73.85 -17.02 23.04 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.102 1.429 . . . . 0.0 114.174 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 m -78.27 -36.31 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 120.587 -1.321 . . . . 0.0 110.226 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -39.03 84.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.793 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.4 -45.82 85.98 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.787 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.77 -29.53 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.399 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.8 t80 -66.99 -46.15 75.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.536 0.684 . . . . 0.0 112.176 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.35 71.34 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.872 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.05 -17.57 46.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.801 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.29 -57.35 4.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.644 0.735 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -83.98 -49.6 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.38 -83.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 167.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -83.3 34.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.781 0.801 . . . . 0.0 111.465 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.0 tppt? -143.49 -48.26 0.3 Allowed 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.825 -172.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -102.83 135.73 38.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.778 0.799 . . . . 0.0 110.47 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -102.69 103.06 13.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.79 89.86 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.01 174.29 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.021 0.915 . . . . 0.0 110.998 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -140.24 107.01 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.491 -0.884 . . . . 0.0 109.892 -170.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.31 124.92 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -81.13 123.75 28.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.742 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 72' ' ' ILE . 8.1 p -72.95 -19.29 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.207 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -79.52 -45.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.348 -0.845 . . . . 0.0 110.9 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.69 -48.78 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.739 -174.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -96.35 120.9 61.6 Favored Pre-proline 0 C--N 1.324 -0.541 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.956 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -102.32 -14.54 0.12 Allowed 'Trans proline' 0 C--N 1.329 -0.488 0 C-N-CA 120.684 0.923 . . . . 0.0 114.286 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -81.05 -33.65 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.131 -1.028 . . . . 0.0 112.78 -170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.6 t -82.31 -33.34 29.06 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.627 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -66.75 -26.37 66.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.712 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -78.74 -31.57 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.372 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -65.94 -40.86 91.74 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.864 -0.735 . . . . 0.0 111.832 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -94.25 -38.06 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.67 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.22 77.52 1.37 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 -173.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -96.04 111.4 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 75.4 mtm -92.85 -23.51 18.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.122 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 t -155.02 137.75 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.665 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 HG11 ' A' ' 57' ' ' VAL . 1.2 pp -95.49 151.81 38.83 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.639 169.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 71.6 Cg_endo -83.89 146.62 52.55 Favored 'Cis proline' 0 C--N 1.324 -0.736 0 C-N-CA 122.936 -1.693 . . . . 0.0 111.721 4.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 mt -105.67 133.24 50.74 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.771 -1.171 . . . . 0.0 109.684 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.1 mt -138.86 131.0 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -98.82 130.15 45.24 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.208 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -117.09 144.08 45.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -101.56 -84.0 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.143 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.89 49.31 0.86 Allowed Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.462 -1.351 . . . . 0.0 112.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.04 33.49 7.73 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.416 -1.373 . . . . 0.0 112.981 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -155.49 126.76 3.63 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.76 116.32 4.68 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.212 1.275 . . . . 0.0 110.313 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.83 -58.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.537 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -146.84 153.88 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.426 1.108 . . . . 0.0 110.049 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -127.68 131.54 49.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.215 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.27 148.76 43.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.454 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.27 160.86 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.857 -169.41 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.79 -157.81 30.14 Favored Glycine 0 N--CA 1.46 0.273 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.543 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -90.74 125.44 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.746 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.94 118.49 19.58 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -46.82 163.19 0.13 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 122.431 2.088 . . . . 0.0 115.674 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -51.8 -43.59 63.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.027 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.56 -30.77 71.55 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.145 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -74.2 -33.44 63.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.084 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -60.18 -47.58 85.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.039 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.29 -41.29 89.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.818 -170.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.17 -53.24 40.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.177 0.989 . . . . 0.0 110.599 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -50.27 -44.74 53.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.531 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 83.6 mt -88.08 -21.97 24.42 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -169.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.25 77.61 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 120.722 -1.236 . . . . 0.0 112.089 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -42.0 86.78 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.456 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.563 HG21 ' HG ' ' A' ' 77' ' ' LEU . 34.2 m -80.89 -29.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 49' ' ' LYS . 65.3 mt -74.73 -39.65 61.74 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.686 -0.806 . . . . 0.0 112.61 -172.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.716 -176.224 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.704 0.764 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 p -101.13 154.44 18.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.304 1.049 . . . . 0.0 110.468 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -77.99 161.12 27.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.811 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.2 m -135.39 119.9 18.08 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.333 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.76 170.42 7.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.859 1.314 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.31 158.39 42.69 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.3 p-10 -31.54 -49.91 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -170.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.48 -54.26 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.215 -0.928 . . . . 0.0 112.314 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.98 -27.02 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.452 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -51.59 -48.7 63.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 23.4 mm100 -63.84 -54.59 32.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.107 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -54.73 -34.21 62.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.493 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.73 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.189 -0.605 . . . . 0.0 112.401 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.0 -24.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.929 -0.708 . . . . 0.0 112.702 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 68.4 mt-30 -72.42 -10.21 59.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -84.31 0.02 OUTLIER Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.961 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -157.03 -71.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.991 -1.083 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -95.42 -178.24 0.76 Allowed Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.886 -169.766 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 36.3 Cg_exo -56.94 140.26 91.7 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 121.72 1.613 . . . . 0.0 114.912 -171.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.06 119.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.6 134.91 33.91 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.692 -1.203 . . . . 0.0 110.173 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.1 t -107.88 131.87 57.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.24 109.62 21.51 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -87.66 119.15 27.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -145.77 173.83 11.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 109.049 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.02 153.5 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.154 172.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.76 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.726 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.41 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 36.7 p-90 -84.82 -9.87 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.763 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.13 139.5 58.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.362 1.077 . . . . 0.0 111.75 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.59 -60.97 2.24 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.07 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.97 -8.98 23.09 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 CA-C-N 119.625 1.712 . . . . 0.0 113.909 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -73.93 -15.97 61.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.725 176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.03 -37.61 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.728 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.2 mtt -66.42 -32.41 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.419 -0.912 . . . . 0.0 111.647 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.438 ' HA ' HG22 ' A' ' 38' ' ' VAL . 43.5 mtp -75.66 -13.98 60.34 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.041 -1.063 . . . . 0.0 113.124 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -54.01 46.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.92 -37.5 3.59 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 121.478 1.564 . . . . 0.0 113.48 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 35' ' ' MET . 34.1 m -67.81 -33.05 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.505 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.95 -34.05 64.13 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.713 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.16 -38.27 85.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.155 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.15 -26.38 64.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.686 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.1 t80 -72.18 -43.5 64.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.713 0.768 . . . . 0.0 111.313 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.09 66.52 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.456 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.12 -23.94 28.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.537 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -58.25 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 50' ' ' VAL . 84.3 m-70 -84.93 -53.61 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.986 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.16 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 170.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.6 38.76 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.9 0.857 . . . . 0.0 110.893 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 17.9 tppt? -149.96 -47.81 0.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.376 0.608 . . . . 0.0 109.415 -172.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.6 p -105.73 143.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 110.444 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -102.51 107.97 19.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.77 95.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 179.26 4.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -171.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -138.82 111.46 7.65 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.94 -172.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.96 121.5 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -82.9 124.4 30.31 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.702 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.5 m -68.07 -22.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.378 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 15.8 t70 -83.21 -46.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.825 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.36 -38.96 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.52 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -116.46 103.13 53.12 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -95.66 -7.92 1.39 Allowed 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.163 1.242 . . . . 0.0 113.527 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.13 -37.66 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.741 -171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -77.47 -36.71 52.57 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.229 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -67.11 -27.91 67.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.89 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -79.85 -31.19 40.49 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.4 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.39 -53.32 44.99 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.171 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.32 -32.34 64.53 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.643 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.26 71.58 1.24 Allowed Glycine 0 N--CA 1.459 0.204 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 HG21 ' A' ' 74' ' ' THR . 41.3 mm -82.67 115.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.8 mtt -79.06 -40.32 31.57 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.569 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.0 t -159.51 118.48 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.703 -1.199 . . . . 0.0 110.974 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 72' ' ' ILE . 1.5 pp -72.68 149.44 90.6 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.626 172.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.49 144.23 76.7 Favored 'Cis proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.325 -1.531 . . . . 0.0 111.283 2.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 69' ' ' ILE . 14.8 m -128.58 121.87 29.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.843 0.83 . . . . 0.0 109.0 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -105.5 115.98 31.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.93 125.32 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.056 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -93.4 123.65 36.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.61 142.47 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.3 -68.47 0.85 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.945 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 55.45 0.69 Allowed Glycine 0 N--CA 1.461 0.366 0 C-N-CA 119.69 -1.243 . . . . 0.0 110.507 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.19 38.12 47.45 Favored Glycine 0 N--CA 1.462 0.406 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.826 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 124.59 2.57 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 -174.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.26 120.3 6.9 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.544 1.496 . . . . 0.0 111.067 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.66 -51.66 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.785 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -140.97 155.51 46.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.234 1.016 . . . . 0.0 109.418 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -136.9 113.95 10.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.629 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD22 HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -132.79 130.52 39.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.341 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -127.87 -177.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.312 1.053 . . . . 0.0 111.845 -165.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -172.09 40.98 Favored Glycine 0 N--CA 1.46 0.293 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -82.95 121.93 27.63 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.462 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.533 HE21 HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -125.58 116.86 24.81 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.063 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -54.77 170.04 0.7 Allowed 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 122.023 1.816 . . . . 0.0 113.768 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 36.2 ttpt -58.82 -31.66 68.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.188 172.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.93 -40.44 79.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.327 -0.858 . . . . 0.0 111.738 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -70.68 -40.89 72.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.828 0.823 . . . . 0.0 110.788 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.9 mt -60.82 -43.52 98.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.56 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 42.2 mt-10 -67.31 -38.9 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.115 -1.034 . . . . 0.0 112.121 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.47 68.99 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.615 -0.834 . . . . 0.0 111.255 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.69 -40.88 84.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.434 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 82.6 mt -89.43 -25.32 21.58 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -168.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.21 73.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.843 -1.161 . . . . 0.0 111.563 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -40.17 86.05 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.105 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.491 HG21 ' HG ' ' A' ' 77' ' ' LEU . 19.4 m -85.33 -26.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.23 -30.69 65.14 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.907 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.157 179.234 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 121.754 0.788 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p -130.07 144.46 51.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.042 0.925 . . . . 0.0 110.377 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.86 161.07 16.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.069 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -133.28 117.8 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.598 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD13 ' HB1' ' A' ' 53' ' ' ALA . 6.2 mp -102.2 169.83 8.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.877 1.323 . . . . 0.0 111.074 -176.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.8 t -147.75 156.77 43.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.696 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.4 p-10 -31.67 -49.75 0.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.46 -46.72 9.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.313 -0.867 . . . . 0.0 112.827 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.37 -30.83 71.69 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.937 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -50.06 -48.54 52.93 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.192 0.52 . . . . 0.0 112.341 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.16 -36.63 83.6 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.732 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -78.69 -29.06 45.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.955 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.5 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.418 0.628 . . . . 0.0 112.219 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.28 -22.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.079 -0.649 . . . . 0.0 112.42 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -79.45 -25.09 42.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.435 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.55 -82.04 0.43 Allowed Glycine 0 N--CA 1.46 0.264 0 C-N-CA 119.754 -1.212 . . . . 0.0 113.934 -170.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.26 -164.99 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.371 1.081 . . . . 0.0 112.591 -167.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.47 -175.75 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.109 -177.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' LYS . 6.0 Cg_exo -39.84 123.17 1.17 Allowed 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 122.102 1.868 . . . . 0.0 115.87 -176.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.55 117.03 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -87.74 109.61 19.84 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.168 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 131.8 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.009 -1.076 . . . . 0.0 108.919 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.09 113.19 25.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 79.2 m-85 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -149.88 177.71 9.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.29 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.52 45.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.191 -1.003 . . . . 0.0 109.021 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.03 63.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.746 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.421 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 42.6 p-90 -81.34 -8.64 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.527 -0.869 . . . . 0.0 112.408 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.5 t -67.46 141.84 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.217 1.008 . . . . 0.0 111.753 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.85 -58.95 1.55 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.033 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.1 Cg_endo -74.82 -4.13 14.94 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 CA-C-N 119.889 1.844 . . . . 0.0 113.752 -174.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -26.82 62.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.979 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.1 -20.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.119 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.85 -51.09 71.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.828 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.442 ' HA ' HG12 ' A' ' 38' ' ' VAL . 7.5 ptm -87.93 1.72 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.44 -0.904 . . . . 0.0 113.248 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.02 -53.51 51.02 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 174.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 95.6 Cg_endo -74.42 -25.74 12.84 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 121.535 1.584 . . . . 0.0 113.151 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 35' ' ' MET . 2.8 p -75.3 -30.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.499 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.81 -30.38 66.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.48 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.76 -32.89 71.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.957 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.68 -30.07 69.51 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.591 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.514 ' CZ ' HD12 ' A' ' 100' ' ' LEU . 8.2 t80 -70.49 -43.3 70.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.609 0.719 . . . . 0.0 111.834 -176.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -19.49 64.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.732 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -30.86 55.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.393 174.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.13 -52.32 7.92 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.002 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' VAL . 97.5 m-70 -82.79 -52.46 6.73 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.543 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 -85.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -84.77 24.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.729 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HG3' HD22 ' A' ' 104' ' ' LEU . 14.1 tppt? -133.07 -38.31 0.97 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.237 -171.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 46' ' ' HIS . 9.9 m -103.3 146.95 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.359 1.076 . . . . 0.0 110.558 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.9 m -108.55 93.75 4.69 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 163.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.18 90.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB1' HD13 ' A' ' 5' ' ' LEU . . . -101.09 171.8 7.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.231 -170.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -146.72 115.35 6.78 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.065 -1.054 . . . . 0.0 110.642 -174.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.66 128.13 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.43 115.69 21.56 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.906 -1.117 . . . . 0.0 108.554 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.84 -23.7 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.574 -0.851 . . . . 0.0 112.01 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 31.1 t70 -75.14 -48.31 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.854 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -68.69 -42.39 77.87 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -112.56 105.16 56.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.945 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.2 -16.32 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.03 1.154 . . . . 0.0 113.558 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.59 -28.75 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.046 -1.062 . . . . 0.0 111.928 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -72.62 -44.76 61.52 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.175 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -64.89 -29.64 70.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.427 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -83.11 -27.97 29.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.684 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.32 -48.63 79.0 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.951 -0.699 . . . . 0.0 110.999 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.11 -36.85 24.5 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.885 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 81.94 1.56 Allowed Glycine 0 N--CA 1.459 0.191 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -92.49 96.41 6.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.2 mtt -83.21 -25.02 32.12 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.396 -0.922 . . . . 0.0 112.312 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -149.15 112.25 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.069 -176.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -81.26 147.97 62.04 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.307 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -86.5 132.71 14.56 Favored 'Cis proline' 0 C--N 1.325 -0.71 0 C-N-CA 123.213 -1.578 . . . . 0.0 110.804 2.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 88' ' ' ILE . 3.6 m -103.05 126.44 50.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.634 0.731 . . . . 0.0 109.14 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.6 125.78 51.38 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.28 130.09 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 19' ' ' PRO . 3.3 tm? -99.03 123.04 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.265 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -108.49 137.96 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -106.18 -71.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.141 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 56.53 0.56 Allowed Glycine 0 N--CA 1.462 0.403 0 C-N-CA 119.568 -1.301 . . . . 0.0 110.657 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 43.36 23.2 Favored Glycine 0 N--CA 1.462 0.384 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.509 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -169.52 124.1 0.7 Allowed Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -173.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.78 121.69 7.21 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 121.27 1.314 . . . . 0.0 110.167 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 m -77.69 -46.18 27.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.118 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -144.58 165.39 28.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.397 1.094 . . . . 0.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -140.32 111.65 7.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.515 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -124.16 154.93 39.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.019 0.914 . . . . 0.0 108.552 170.261 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.85 165.96 30.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.138 0.97 . . . . 0.0 111.268 -166.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.29 177.53 51.87 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 119.997 -1.097 . . . . 0.0 111.893 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.28 129.33 39.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.459 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.557 HE22 HD13 ' A' ' 87' ' ' LEU . 6.3 pt20 -136.42 127.8 16.88 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -56.44 166.36 3.57 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 121.591 1.527 . . . . 0.0 113.418 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 31.7 ttpt -57.95 -33.04 68.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.936 175.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.39 -36.55 84.31 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.828 -0.749 . . . . 0.0 112.002 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -70.95 -40.86 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.2 mt -64.33 -43.49 94.48 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.833 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.47 -41.29 72.95 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.64 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.3 85.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.111 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -58.46 -53.14 61.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.461 175.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 70.0 mt -81.17 -27.79 35.27 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.573 -168.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.72 72.2 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 120.827 -1.171 . . . . 0.0 111.885 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.03 -43.96 97.73 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.817 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.22 -23.42 7.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 49' ' ' LYS . 67.2 mt -78.78 -26.89 44.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -170.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 119.184 -1.006 . . . . 0.0 111.409 -174.013 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.598 0.713 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p -132.76 155.46 48.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.327 1.061 . . . . 0.0 110.44 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -90.98 161.95 14.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.216 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -131.33 117.86 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.593 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.76 174.56 5.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.783 1.278 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.8 t -159.62 166.39 30.78 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.5 p-10 -36.92 -48.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -170.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.2 -49.23 9.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.491 -0.756 . . . . 0.0 112.521 -175.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.4 -30.85 68.91 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.272 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.22 -47.96 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt-30 -61.94 -46.53 88.92 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.177 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.6 -29.24 65.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.426 -0.909 . . . . 0.0 112.34 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.75 90.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.419 0.628 . . . . 0.0 112.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 pt -78.63 -21.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 63.8 mt-30 -75.92 -11.28 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.22 -86.62 0.03 OUTLIER Glycine 0 N--CA 1.464 0.507 0 C-N-CA 119.601 -1.285 . . . . 0.0 112.938 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -165.03 -63.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.209 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -66.22 160.38 65.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.671 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.63 131.53 46.23 Favored 'Trans proline' 0 C--N 1.325 -0.66 0 C-N-CA 121.635 1.556 . . . . 0.0 112.734 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.0 t -124.67 111.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.31 108.13 17.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.929 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -82.38 138.72 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.65 175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -111.56 107.16 16.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -83.87 122.71 29.07 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -151.57 176.06 11.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.875 -170.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.58 157.47 46.09 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.012 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.53 -29.53 63.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.539 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.1 p-90 -81.58 -3.62 53.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.503 173.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.75 140.87 55.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.318 1.056 . . . . 0.0 111.682 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.19 -60.58 1.82 Allowed Glycine 0 CA--C 1.521 0.42 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.677 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 66.0 Cg_endo -73.41 -11.35 24.58 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 CA-C-N 119.698 1.749 . . . . 0.0 113.88 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.6 m -70.75 -27.25 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.074 -1.05 . . . . 0.0 110.786 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.25 -23.83 63.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.157 -0.617 . . . . 0.0 112.466 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.57 -45.1 95.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.847 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -80.89 -1.8 44.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -48.97 -59.02 7.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 120.995 -1.066 . . . . 0.0 112.966 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 88.6 Cg_endo -71.55 -20.75 26.66 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-N 121.489 1.567 . . . . 0.0 113.045 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.22 -46.61 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.145 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.35 -37.57 87.96 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.235 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.49 -42.05 98.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.149 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.93 -28.74 64.72 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.48 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.4 t80 -71.42 -43.56 66.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 111.546 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.2 66.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.007 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.17 -15.74 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.425 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.53 -57.02 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.43 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 81.1 m-70 -81.92 -51.03 8.49 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.232 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.54 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.95 30.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.209 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 42.7 tptt -137.57 -44.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 -172.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 m -105.91 145.85 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 122.381 1.086 . . . . 0.0 111.225 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -113.06 91.8 3.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 162.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.25 97.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.03 -177.6 3.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.998 0.904 . . . . 0.0 111.53 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -138.47 119.97 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.23 -173.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.89 124.53 43.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 173.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.78 121.51 27.0 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.287 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.85 -23.4 29.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.139 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.99 -47.15 13.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.804 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.49 -41.39 60.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.988 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -104.21 115.2 63.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.958 -170.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -98.73 -16.37 0.2 Allowed 'Trans proline' 0 C--N 1.327 -0.59 0 C-N-CA 120.953 1.102 . . . . 0.0 113.832 -169.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.56 -38.43 21.69 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.847 -169.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 t -83.56 -29.97 27.4 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 118.921 -1.112 . . . . 0.0 111.973 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.7 -33.97 74.86 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.584 -0.847 . . . . 0.0 111.624 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -80.28 -30.23 38.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.36 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -65.46 -49.98 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.646 -0.821 . . . . 0.0 110.944 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.36 -36.22 46.39 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.419 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.18 76.45 1.31 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.0 mm -85.15 109.87 18.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.2 mtp -82.77 -34.48 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.232 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -159.18 116.58 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.802 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.9 pt -79.53 147.87 68.68 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.435 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.66 127.42 13.53 Favored 'Cis proline' 0 C--N 1.326 -0.634 0 C-N-CA 123.123 -1.615 . . . . 0.0 111.464 6.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 m -107.72 115.85 30.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.07 127.17 52.76 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.102 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.33 129.67 67.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -175.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.4 tm? -96.24 124.45 40.25 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -112.11 150.27 30.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -103.84 -85.54 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.186 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 51.41 0.7 Allowed Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.11 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.87 36.42 6.77 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.777 -1.202 . . . . 0.0 111.95 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -157.11 126.41 3.13 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.06 119.53 5.88 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.417 1.411 . . . . 0.0 110.604 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.4 t -67.74 -60.5 2.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.34 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -149.84 156.68 42.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.198 0.999 . . . . 0.0 109.78 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -119.11 116.43 26.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.617 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 pp -120.87 149.54 42.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -138.86 171.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 122.117 0.961 . . . . 0.0 111.138 -165.621 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.56 173.21 49.57 Favored Glycine 0 N--CA 1.46 0.242 0 C-N-CA 119.797 -1.192 . . . . 0.0 110.635 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -79.56 119.88 23.14 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.384 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -117.82 133.13 23.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 92.4 Cg_exo -55.92 168.76 1.64 Allowed 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 121.695 1.597 . . . . 0.0 114.024 -176.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -66.2 -38.69 88.6 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.559 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -70.62 -34.86 72.56 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.745 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.48 -45.67 86.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.442 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 18.0 mt -57.73 -48.16 80.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.16 -41.35 98.22 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.179 -172.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.98 78.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.989 0.9 . . . . 0.0 111.122 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.101 -175.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 100' ' ' LEU . 4.2 mm? -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.043 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -27.77 62.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.942 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.99 -43.22 88.43 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.671 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.17 -26.82 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.901 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.04 -30.29 49.77 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.106 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.407 -178.56 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.872 0.844 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 p -94.17 166.29 12.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.057 0.932 . . . . 0.0 111.109 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.74 163.93 19.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.5 m -128.33 115.0 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.383 174.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD23 ' CD2' ' A' ' 10' ' ' PHE . 4.8 mp -96.93 169.81 9.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.629 1.204 . . . . 0.0 110.214 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -157.46 177.47 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.121 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -43.0 -54.23 4.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.32 -32.69 16.4 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.659 -0.816 . . . . 0.0 112.558 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -73.96 -28.4 61.47 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.121 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CD2' HD23 ' A' ' 5' ' ' LEU . 63.7 t80 -62.35 -45.26 93.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.221 0.534 . . . . 0.0 111.959 176.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.66 -41.32 98.21 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.072 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.81 -31.3 72.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.718 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.33 29.55 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.219 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 pt -79.5 -26.36 12.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 119.361 -0.935 . . . . 0.0 112.759 -172.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.11 -12.59 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.699 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.93 -89.16 0.09 OUTLIER Glycine 0 CA--C 1.519 0.303 0 C-N-CA 119.677 -1.249 . . . . 0.0 112.509 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -169.08 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.575 -173.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -67.0 140.92 96.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.063 -174.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -42.54 129.15 4.95 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.867 1.711 . . . . 0.0 113.634 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.83 112.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.0 106.88 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.288 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.17 120.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.179 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.18 110.4 22.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.438 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 94.5 m-85 -85.59 125.87 33.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -148.33 178.18 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.514 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.98 158.19 44.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.186 -1.006 . . . . 0.0 109.791 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.66 -26.7 60.87 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.63 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -84.72 -4.93 59.27 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.209 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.6 t -66.43 150.64 48.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 112.391 -173.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.506 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -96.32 -59.95 1.02 Allowed Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.791 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 68.6 Cg_endo -73.84 -5.72 17.48 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 119.727 1.763 . . . . 0.0 113.589 -175.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -69.41 -28.09 65.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.075 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -67.01 -27.52 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.808 173.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.38 -38.36 71.52 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.472 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.7 mtp -77.8 -11.67 59.91 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.336 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.16 -50.59 78.15 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -176.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 92.3 Cg_endo -81.67 -11.9 11.36 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-N 121.836 1.691 . . . . 0.0 113.978 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -87.73 -36.38 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.82 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.72 -39.05 84.32 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.61 -36.43 84.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.406 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.57 -30.46 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.014 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 11.7 t80 -65.79 -45.84 80.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.733 0.777 . . . . 0.0 111.354 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.9 -23.78 65.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.839 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.2 -35.34 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.385 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -50.86 19.62 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.531 -175.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 50' ' ' VAL . 95.5 m-70 -85.05 -52.77 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.525 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.1 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 169.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -83.25 15.05 3.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.331 -176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -122.36 -30.66 3.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.182 0.515 . . . . 0.0 110.062 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 46' ' ' HIS . 13.4 p -122.91 125.76 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.537 0.684 . . . . 0.0 109.413 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.5 m -92.87 93.84 8.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 170.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -85.98 99.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.71 178.02 4.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.135 0.969 . . . . 0.0 111.896 -168.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -141.28 110.49 6.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.916 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 tt -117.9 132.1 56.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 171.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -82.54 124.05 29.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.496 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -61.54 -30.83 49.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.229 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.14 -43.8 13.53 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.23 -42.18 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.163 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -112.67 99.16 46.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -100.27 8.94 0.67 Allowed 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 120.894 1.062 . . . . 0.0 113.809 -166.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -82.52 -35.2 27.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.721 -172.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.3 t -82.33 -33.21 29.01 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.56 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.6 t -67.37 -26.34 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.765 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.9 p -74.18 -29.84 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.34 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -69.46 -49.47 54.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.13 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.99 -36.1 23.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.882 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.15 77.21 1.06 Allowed Glycine 0 N--CA 1.461 0.343 0 C-N-CA 119.714 -1.232 . . . . 0.0 110.065 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.67 111.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.5 mtm -95.54 -18.06 20.91 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.33 -172.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.3 t -150.04 99.55 2.83 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 118.642 -1.223 . . . . 0.0 111.209 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 72' ' ' ILE . 1.7 pp -80.92 149.15 66.42 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.484 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.95 146.55 51.94 Favored 'Cis proline' 0 C--N 1.327 -0.594 0 C-N-CA 122.964 -1.682 . . . . 0.0 111.286 2.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' HG22 ' A' ' 88' ' ' ILE . 5.9 m -125.13 123.85 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.89 0.852 . . . . 0.0 109.453 -174.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.77 121.16 41.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.9 124.65 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -100.97 131.57 46.79 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.894 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.36 142.99 44.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.97 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -97.37 -76.18 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.743 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.29 61.17 0.51 Allowed Glycine 0 N--CA 1.463 0.464 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.048 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.8 43.02 36.69 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 119.735 -1.221 . . . . 0.0 110.951 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 111.39 2.9 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.53 115.81 4.44 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.3 1.333 . . . . 0.0 110.112 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.05 -48.89 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.449 -0.9 . . . . 0.0 110.381 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -146.24 147.91 31.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.58 1.181 . . . . 0.0 110.276 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -131.6 111.32 11.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.567 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.14 143.88 51.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.01 0.91 . . . . 0.0 108.805 174.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.21 165.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 122.109 0.957 . . . . 0.0 111.296 -167.709 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 169.97 33.91 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -77.09 111.03 12.25 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.214 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 6.4 pt20 -117.24 125.71 27.98 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 85.4 Cg_exo -58.14 173.0 1.06 Allowed 'Trans proline' 0 C--N 1.326 -0.633 0 C-N-CA 121.412 1.408 . . . . 0.0 113.702 -174.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.53 -40.78 60.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.18 176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.98 -29.69 70.63 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.029 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 91' ' ' GLN . 72.8 mm-40 -74.45 -38.34 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.69 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.5 mm? -59.2 -46.34 88.69 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.073 172.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.34 -42.16 98.22 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.034 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.43 92.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.481 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.91 -51.51 64.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.438 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.93 -27.57 43.74 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.397 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.34 -31.42 67.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 118.856 -1.137 . . . . 0.0 111.731 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -65.71 -43.56 88.75 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.865 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.82 -26.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.55 -10.64 59.73 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.346 -178.355 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.0 p -95.07 155.04 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.924 0.869 . . . . 0.0 110.157 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 25.7 ttt -115.84 121.06 41.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.186 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -87.4 118.57 26.93 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.202 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.43 175.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.673 1.225 . . . . 0.0 109.99 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -157.79 168.84 26.05 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -37.9 -47.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.68 -47.17 10.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.613 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -71.47 -25.93 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.5 -49.67 71.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.208 0.528 . . . . 0.0 111.994 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.02 -37.29 86.6 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.404 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -75.17 -28.6 60.14 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.977 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.94 67.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.334 0.588 . . . . 0.0 112.178 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -79.48 -28.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.496 -171.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -75.45 -13.87 60.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.44 -85.79 0.03 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.01 -175.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.33 -54.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.05 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -76.02 159.85 79.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.199 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.39 136.3 74.86 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 121.749 1.633 . . . . 0.0 112.709 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.18 109.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 21' ' ' LEU . 8.4 tt -84.32 115.1 22.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.705 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.08 123.33 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 119.207 -0.997 . . . . 0.0 108.45 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 3.1 m-20 -101.55 104.68 15.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.55 124.97 31.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -149.38 175.13 11.72 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.066 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.34 152.97 44.86 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.292 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.83 -24.77 65.32 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.589 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -88.59 -2.26 58.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.644 173.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.9 t -68.22 146.5 53.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.367 1.08 . . . . 0.0 111.906 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.511 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.29 -58.42 1.22 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.69 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.1 Cg_endo -71.47 -9.33 25.0 Favored 'Trans proline' 0 C--N 1.329 -0.488 0 CA-C-N 120.044 1.922 . . . . 0.0 114.103 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 m -70.84 -22.87 62.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.742 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.35 -31.67 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.487 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.26 -53.0 62.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -85.38 4.64 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.18 80.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 121.132 -0.98 . . . . 0.0 113.091 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.83 -15.78 13.17 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-N 121.802 1.679 . . . . 0.0 113.976 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -76.81 -33.21 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.442 -1.303 . . . . 0.0 110.31 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.89 -35.31 76.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.947 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.25 -41.32 97.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.967 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -69.4 -32.52 71.58 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.057 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 35.4 t80 -66.91 -43.13 84.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.678 0.751 . . . . 0.0 111.919 -177.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.76 -25.47 63.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.963 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -83.97 -15.65 47.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.727 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.45 -58.41 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.458 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 90.2 m-70 -83.68 -44.61 14.32 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.913 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.08 -95.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 170.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -80.22 -16.77 54.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.197 -1.001 . . . . 0.0 111.631 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.1 tppt? -72.98 -35.25 66.86 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.523 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 46' ' ' HIS . 16.4 m -108.61 165.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.516 1.15 . . . . 0.0 111.062 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 m -126.18 90.47 3.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 162.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.28 93.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 3' ' ' MET . . . -101.17 174.4 6.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.37 1.081 . . . . 0.0 111.563 -168.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -138.94 112.02 7.96 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.502 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 tp -111.18 135.11 52.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 171.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -83.93 120.38 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 118.636 -1.226 . . . . 0.0 108.327 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.13 -20.94 23.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.146 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.69 -39.54 24.16 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.052 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -80.56 -42.89 21.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.85 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.07 113.31 64.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.287 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -105.76 7.81 0.22 Allowed 'Trans proline' 0 C--N 1.327 -0.603 0 C-N-CA 120.473 0.782 . . . . 0.0 114.089 -167.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -89.96 -43.37 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.994 -1.082 . . . . 0.0 112.614 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.5 t -82.02 -25.38 34.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 111.689 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -65.56 -23.56 66.89 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.741 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -79.44 -35.74 39.98 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.437 175.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -55.56 18.05 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.766 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -83.44 -32.14 26.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.36 -0.936 . . . . 0.0 112.045 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.3 67.66 1.4 Allowed Glycine 0 N--CA 1.46 0.247 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -91.1 100.01 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.2 mtt -135.94 32.43 2.95 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.533 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.6 t -146.33 58.41 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.313 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.553 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -71.66 147.51 92.12 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.453 -177.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.0 129.79 19.8 Favored 'Cis proline' 0 C--N 1.325 -0.676 0 C-N-CA 123.151 -1.604 . . . . 0.0 111.18 1.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.433 ' HA ' HG22 ' A' ' 88' ' ' ILE . 28.9 m -110.49 121.41 45.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 23' ' ' ASP . 17.3 mt -110.11 124.19 51.08 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.884 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mt -130.49 122.25 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 119.581 -0.848 . . . . 0.0 108.857 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.4 tm? -93.32 120.49 33.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 96.4 m-85 -108.38 141.43 40.22 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.144 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -98.52 -66.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.88 49.57 0.9 Allowed Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.548 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.55 -32.82 6.57 Favored Glycine 0 N--CA 1.462 0.398 0 C-N-CA 119.587 -1.292 . . . . 0.0 112.122 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.41 127.23 71.71 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 63.6 Cg_endo -75.79 120.99 6.03 Favored 'Trans proline' 0 C--N 1.325 -0.691 0 C-N-CA 121.552 1.501 . . . . 0.0 110.42 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.8 t -78.21 -50.09 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.903 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.89 134.03 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.19 106.21 12.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.653 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.5 pt? -127.76 150.06 49.97 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.548 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.12 155.75 24.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.669 -168.015 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.68 179.42 29.4 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -69.57 138.38 53.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.369 1.081 . . . . 0.0 109.683 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.653 HE22 ' HG ' ' A' ' 87' ' ' LEU . 6.5 pt20 -152.77 122.04 3.3 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -54.47 167.47 1.36 Allowed 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.617 1.544 . . . . 0.0 114.656 -173.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -61.72 -38.66 88.72 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.088 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.296 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -73.69 -37.68 65.12 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.881 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.86 -48.36 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.12 169.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.55 -30.36 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.239 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.1 -51.57 52.68 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.905 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.99 -42.41 99.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.777 0.798 . . . . 0.0 111.564 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 103' ' ' VAL . 44.9 mt -87.4 -28.6 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.039 -0.665 . . . . 0.0 112.631 -170.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.39 64.65 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.468 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -47.43 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.839 -0.745 . . . . 0.0 111.535 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.8 m -83.11 -25.05 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.488 HD22 ' HG3' ' A' ' 49' ' ' LYS . 83.1 mt -78.94 -36.63 41.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.652 -174.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.799 -179.557 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 121.706 0.765 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 ttt -82.62 159.82 22.62 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.796 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -130.0 108.53 10.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.33 168.77 11.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.517 1.151 . . . . 0.0 109.653 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.3 t -157.86 150.89 23.05 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 25.3 p-10 -24.91 -56.97 0.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.37 -50.67 15.19 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.628 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -70.84 -22.33 62.33 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.566 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CE2' HG11 ' A' ' 22' ' ' VAL . 15.9 t80 -53.19 -60.4 3.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 111.923 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -76.18 -35.31 59.2 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.896 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.39 -23.74 67.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.453 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -55.74 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.644 -0.66 . . . . 0.0 111.425 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.68 -36.01 63.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.972 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -71.08 -14.87 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -97.59 0.02 OUTLIER Glycine 0 N--CA 1.461 0.337 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.962 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -172.38 84.67 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 170.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -154.13 121.85 2.95 Favored Pre-proline 0 C--N 1.322 -0.606 0 C-N-CA 118.608 -1.237 . . . . 0.0 111.488 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.95 110.61 0.39 Allowed 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.892 1.728 . . . . 0.0 112.633 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -143.99 120.91 5.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.9 tt -91.28 109.71 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.805 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 10' ' ' PHE . 77.1 t -82.8 128.7 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.715 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.99 117.7 35.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -98.64 116.94 31.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -147.17 177.37 9.23 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.217 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.57 33.51 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.796 -1.162 . . . . 0.0 109.787 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.58 -11.39 59.86 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.01 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 19.1 p-90 -95.71 4.02 53.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.835 -0.541 . . . . 0.0 112.267 172.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' A' ' 72' ' ' ILE . 4.2 t -78.24 153.4 31.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.248 1.023 . . . . 0.0 111.648 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.91 -68.12 1.22 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.13 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -83.32 9.17 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 CA-C-N 119.218 1.509 . . . . 0.0 113.867 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 26.7 m -75.8 -20.96 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.959 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -63.28 -27.13 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.88 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.6 mtp -57.89 -58.38 8.66 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.728 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.429 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.3 ptm -86.35 6.55 29.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.42 -52.86 62.62 Favored Pre-proline 0 C--N 1.321 -0.662 0 O-C-N 121.136 -0.977 . . . . 0.0 113.011 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 83.3 Cg_endo -77.99 -20.21 11.78 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 CA-C-N 121.561 1.593 . . . . 0.0 113.579 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.95 -31.73 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 118.211 -1.396 . . . . 0.0 110.739 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.01 -40.83 87.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.66 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -72.71 -30.38 64.16 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.645 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.1 -19.28 60.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.289 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.8 t80 -69.4 -39.67 77.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.745 0.783 . . . . 0.0 110.856 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.97 -20.39 65.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.689 171.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.4 -24.65 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.502 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.617 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 50' ' ' VAL . 45.6 m-70 -83.94 -56.13 3.86 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.293 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.96 -70.05 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 171.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -87.5 35.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.889 0.852 . . . . 0.0 110.4 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HG3' HD22 ' A' ' 104' ' ' LEU . 16.0 tppt? -153.64 -48.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.4 p -95.19 120.91 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.999 -177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.2 m -89.86 96.48 10.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.25 98.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.7 164.86 12.4 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.208 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -132.1 116.09 16.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.177 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 6' ' ' THR . 23.9 tp -111.01 129.87 55.77 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.123 171.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -84.42 110.98 19.05 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -74.57 -14.81 16.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.426 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 25.9 t0 -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.594 169.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.45 -40.34 73.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -114.59 105.95 52.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.51 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -105.69 10.86 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.578 0 N-CA-C 114.219 0.815 . . . . 0.0 114.219 -166.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -83.12 -42.17 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 120.873 -1.142 . . . . 0.0 111.873 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 t -81.86 -25.7 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.185 -1.006 . . . . 0.0 112.514 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -66.23 -26.65 67.47 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.224 -0.99 . . . . 0.0 111.48 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -78.0 -29.92 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.697 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -70.25 -52.24 24.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.946 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -77.84 -33.16 52.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.454 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.13 70.66 1.33 Allowed Glycine 0 CA--C 1.519 0.285 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.43 94.55 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.2 mtt -92.02 -18.06 24.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.626 -1.23 . . . . 0.0 112.705 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -145.75 100.84 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.275 -1.37 . . . . 0.0 110.898 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.3 pp -68.87 150.4 97.63 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.207 171.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.533 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 94.1 Cg_endo -81.55 156.97 81.76 Favored 'Cis proline' 0 C--N 1.323 -0.771 0 C-N-CA 123.324 -1.532 . . . . 0.0 111.833 2.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 88' ' ' ILE . 54.8 m -142.27 119.21 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.922 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.19 126.21 51.83 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.531 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mt -132.95 128.66 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.566 -0.853 . . . . 0.0 109.165 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 103' ' ' VAL . 2.8 tm? -95.71 127.05 41.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.433 ' N ' HD13 ' A' ' 77' ' ' LEU . 96.5 m-85 -116.14 132.13 56.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -107.56 -42.75 4.69 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.857 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.22 60.09 0.51 Allowed Glycine 0 N--CA 1.46 0.288 0 C-N-CA 119.16 -1.495 . . . . 0.0 110.986 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.7 40.9 85.24 Favored Glycine 0 N--CA 1.462 0.373 0 C-N-CA 119.775 -1.202 . . . . 0.0 112.004 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.84 120.73 1.04 Allowed Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.23 113.89 3.9 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.241 1.294 . . . . 0.0 109.929 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.88 -42.95 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.411 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.05 125.95 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.784 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -107.04 124.82 50.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -135.0 142.3 46.41 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.786 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.93 175.15 10.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.196 0.998 . . . . 0.0 110.717 -171.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.44 -159.64 35.35 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -91.85 128.77 37.81 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.319 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.429 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -133.4 122.47 17.03 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.94 163.98 5.27 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.259 1.306 . . . . 0.0 112.536 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -60.36 -29.39 68.89 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.193 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.85 -34.67 73.92 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.824 -0.548 . . . . 0.0 111.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -71.96 -44.17 64.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.007 0.908 . . . . 0.0 109.863 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -58.36 -49.24 77.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.023 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.59 -37.58 86.81 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.366 -0.834 . . . . 0.0 112.434 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.357 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.502 HE21 HD22 ' A' ' 87' ' ' LEU . 13.4 tp60 -58.25 -49.87 75.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.681 0.753 . . . . 0.0 111.293 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.9 mm? -77.34 -23.3 50.93 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.357 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 -36.85 73.4 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.283 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.91 -47.16 78.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.545 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.437 HG21 ' HG ' ' A' ' 77' ' ' LEU . 30.1 m -80.13 -29.1 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 49' ' ' LYS . 92.1 mt -72.43 -30.59 64.75 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.773 177.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 122.146 0.974 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 tpt -87.9 165.47 15.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.839 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -132.95 117.67 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.601 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.5 176.07 5.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.736 1.255 . . . . 0.0 110.253 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -156.4 173.85 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -43.63 -44.75 6.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.63 -45.84 9.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.464 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -69.46 -25.38 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.439 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.86 -51.24 70.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.984 0.421 . . . . 0.0 111.81 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -67.3 -30.27 70.08 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.596 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -74.12 -31.94 62.98 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.492 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.16 -48.58 56.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.29 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.93 -27.89 20.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 119.709 -0.797 . . . . 0.0 112.391 -173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -74.43 -14.91 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -86.75 0.05 OUTLIER Glycine 0 N--CA 1.462 0.368 0 C-N-CA 119.774 -1.203 . . . . 0.0 112.985 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -162.57 -51.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.898 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -64.64 131.69 95.2 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.747 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.96 117.86 4.34 Favored 'Trans proline' 0 C--N 1.326 -0.632 0 C-N-CA 121.67 1.58 . . . . 0.0 112.167 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -107.27 117.94 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 100' ' ' LEU . 39.0 tp -87.07 109.9 19.73 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.455 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.5 t -86.75 132.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.653 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 75' ' ' LEU . 1.7 m-20 -100.37 106.09 17.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 171.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -83.99 121.52 27.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -147.21 177.21 9.37 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.415 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.35 156.8 46.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.458 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -28.74 64.12 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.323 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.596 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.2 t -66.75 143.8 56.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.207 1.003 . . . . 0.0 111.304 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.25 -59.11 1.49 Allowed Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.593 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 73.5 Cg_endo -76.4 -2.03 12.17 Favored 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 119.71 1.755 . . . . 0.0 113.841 -173.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.0 m -74.0 -24.98 59.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.235 174.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.08 -26.28 62.99 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.242 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mtt -64.65 -41.66 95.97 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.313 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 ptp -80.57 -7.34 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.007 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.69 -57.28 13.88 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 112.968 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 78.3 Cg_endo -67.76 -33.68 26.68 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.533 1.583 . . . . 0.0 112.613 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' A' ' 93' ' ' LYS . 42.6 t -56.8 -44.8 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.38 -28.19 62.85 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.814 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -67.59 -40.98 84.77 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.574 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.34 -34.96 79.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 110.921 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 32.6 t80 -72.0 -42.22 66.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.721 0.772 . . . . 0.0 112.034 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -25.59 66.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.954 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.29 -17.6 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.612 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.08 -54.79 6.32 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.782 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 92.2 m-70 -89.5 -50.39 6.12 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.517 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.54 -83.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.42 37.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.18 0.991 . . . . 0.0 110.406 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -145.11 -42.13 0.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.53 164.78 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.536 1.16 . . . . 0.0 110.707 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -139.92 88.38 2.23 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 165.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 1.1 m -70.1 98.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.32 179.86 4.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.853 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -141.71 108.63 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.482 -171.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -115.64 133.58 55.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -81.89 117.66 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.314 -0.954 . . . . 0.0 108.748 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.31 -14.65 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.81 -40.81 24.37 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.393 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.72 -47.97 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.507 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -98.84 118.44 62.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.773 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -101.27 -10.77 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 120.75 0.966 . . . . 0.0 114.314 -167.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -78.74 -45.22 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.407 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -79.81 -34.31 39.64 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.707 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -65.16 -27.83 68.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.695 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -77.88 -32.31 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.469 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.1 -49.53 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.288 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.57 -29.62 24.0 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.851 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.0 74.62 1.22 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.276 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.6 99.43 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -96.7 9.26 42.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.87 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.2 t -156.38 157.18 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.301 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.594 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -141.98 145.46 36.3 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -83.95 138.01 29.59 Favored 'Cis proline' 0 C--N 1.324 -0.718 0 C-N-CA 123.235 -1.569 . . . . 0.0 111.008 3.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -112.71 118.53 35.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.955 0.883 . . . . 0.0 109.373 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.44 HD11 ' OD2' ' A' ' 23' ' ' ASP . 4.4 mm? -96.39 126.03 41.31 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.247 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.19 125.08 32.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tt -93.33 134.11 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.885 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 83.5 m-85 -115.82 131.98 56.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.134 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -91.92 -71.35 0.64 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.668 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.23 53.12 0.71 Allowed Glycine 0 N--CA 1.462 0.41 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.3 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.8 45.49 7.2 Favored Glycine 0 N--CA 1.461 0.309 0 C-N-CA 119.687 -1.244 . . . . 0.0 111.073 -177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.68 118.1 1.33 Allowed Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 60.4 Cg_endo -72.88 120.03 6.41 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.345 1.363 . . . . 0.0 110.679 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.6 m -78.62 -45.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.434 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -148.35 161.82 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.149 0.976 . . . . 0.0 110.059 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -142.6 110.23 5.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.181 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -119.27 159.38 24.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.485 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -141.39 165.16 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 119.101 -1.04 . . . . 0.0 111.481 -167.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.32 171.23 42.76 Favored Glycine 0 N--CA 1.461 0.32 0 C-N-CA 120.033 -1.079 . . . . 0.0 110.539 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.88 119.36 14.9 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.664 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.457 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.1 pt20 -119.57 120.78 30.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.541 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.11 166.86 0.15 Allowed 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.096 1.864 . . . . 0.0 114.622 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HB2' HG13 ' A' ' 38' ' ' VAL . 34.4 ttpt -60.42 -36.11 77.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.562 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.54 -29.76 70.43 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.851 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.32 -38.55 60.19 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 111.044 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.4 mm? -56.63 -53.81 53.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.902 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.75 -44.21 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.462 -171.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.23 86.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.921 0.867 . . . . 0.0 111.378 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.91 -48.95 78.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.066 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.7 mm? -72.56 -33.74 67.01 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.739 -0.785 . . . . 0.0 112.766 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.1 66.6 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.144 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.53 -43.03 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.883 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.2 m -85.12 -28.23 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 49' ' ' LYS . 90.7 mt -75.52 -12.98 60.34 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.911 -173.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.838 179.681 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 122.419 1.104 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 tpt -88.72 162.15 16.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.577 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -132.53 116.47 16.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.148 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -95.87 170.65 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.903 1.335 . . . . 0.0 110.216 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -152.25 168.46 25.32 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.86 -41.5 11.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.49 -41.87 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.303 -0.873 . . . . 0.0 112.396 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -66.82 -29.08 68.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.828 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.35 -45.17 80.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.147 0.499 . . . . 0.0 111.953 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.14 -34.65 78.07 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.844 -0.742 . . . . 0.0 112.026 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.51 -25.53 28.74 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.973 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.72 -46.59 71.77 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.72 -0.612 . . . . 0.0 112.515 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 pt -77.84 -26.11 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.606 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -70.98 -15.42 62.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.41 -88.08 0.02 OUTLIER Glycine 0 N--CA 1.46 0.243 0 C-N-CA 119.732 -1.223 . . . . 0.0 112.963 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -158.34 -65.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.651 -173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -80.16 167.33 34.12 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.944 -167.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -56.64 137.26 80.25 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.797 1.665 . . . . 0.0 113.061 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.31 109.69 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.7 tt -87.21 115.97 24.97 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.395 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' N ' HD23 ' A' ' 21' ' ' LEU . 97.5 t -93.43 127.51 45.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.906 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.05 107.77 20.33 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -84.52 114.52 22.01 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -143.12 173.75 11.29 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.516 -172.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.0 154.72 50.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.35 1.071 . . . . 0.0 110.272 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.756 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -89.03 0.88 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.568 -0.707 . . . . 0.0 112.474 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.0 t -72.64 153.2 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.342 1.068 . . . . 0.0 112.23 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.23 -60.0 1.14 Allowed Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.545 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.5 Cg_endo -73.13 -4.54 15.6 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 CA-C-N 119.739 1.769 . . . . 0.0 114.013 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 m -76.86 -21.91 54.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.335 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 33' ' ' ARG . 3.9 mpt_? -65.53 -31.0 71.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.483 -0.761 . . . . 0.0 111.622 173.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 82.5 mtp -67.41 -45.92 74.72 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.576 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ptp -82.18 -3.41 54.91 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.822 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -45.24 -50.46 28.58 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.4 Cg_endo -76.06 -36.09 2.12 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-N 121.472 1.562 . . . . 0.0 113.451 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -64.76 -34.88 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.777 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.1 -40.09 82.68 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.745 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.79 -37.22 86.89 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.714 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.929 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 23.6 t80 -72.65 -43.3 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.807 0.813 . . . . 0.0 111.365 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.19 64.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.954 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -88.78 -12.34 42.37 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.19 -1.004 . . . . 0.0 111.782 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.12 -54.49 5.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.984 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 94.4 m-70 -88.06 -48.65 7.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 -177.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.63 -92.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 170.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.06 -4.63 48.21 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.421 -0.912 . . . . 0.0 111.673 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -92.19 -35.09 14.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.724 -0.61 . . . . 0.0 110.449 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.9 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.464 1.126 . . . . 0.0 110.94 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.5 m -130.67 90.1 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 163.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -78.75 99.39 3.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.4 179.67 4.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.033 0.92 . . . . 0.0 111.593 -169.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -142.26 109.29 5.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.7 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.39 133.41 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.03 115.06 22.63 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.761 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.07 -26.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.688 -0.805 . . . . 0.0 111.616 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.36 -48.92 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.83 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -79.01 -32.23 45.03 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -118.37 95.84 49.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.267 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -100.67 9.82 0.58 Allowed 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 120.772 0.981 . . . . 0.0 114.377 -168.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -88.05 -48.79 7.48 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.943 -173.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -79.59 -26.64 41.22 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.177 -1.009 . . . . 0.0 111.776 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.5 -24.64 64.69 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.477 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -83.68 -26.88 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.212 171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.95 -49.84 73.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.114 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -85.12 -31.53 23.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.585 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.48 77.02 1.24 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 74' ' ' THR . 35.4 mm -88.25 105.32 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.6 mtt -100.61 -3.91 29.52 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.753 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -159.79 104.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.755 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.47 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -85.46 150.55 54.41 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.577 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.54 141.58 56.33 Favored 'Cis proline' 0 C--N 1.326 -0.655 0 C-N-CA 123.114 -1.619 . . . . 0.0 111.533 4.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.504 HG21 HD12 ' A' ' 69' ' ' ILE . 3.2 m -118.34 118.05 30.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.173 0.987 . . . . 0.0 109.126 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.47 120.84 36.42 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.1 mt -130.51 126.19 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 119.456 -0.898 . . . . 0.0 108.849 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.3 tm? -96.16 121.5 38.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.281 -178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.2 151.76 24.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.043 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -119.8 -61.48 1.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.688 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.78 53.75 0.7 Allowed Glycine 0 N--CA 1.462 0.394 0 C-N-CA 119.414 -1.374 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.59 32.22 11.9 Favored Glycine 0 N--CA 1.461 0.357 0 C-N-CA 119.836 -1.173 . . . . 0.0 111.811 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.47 118.21 1.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.72 113.5 3.67 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.292 1.328 . . . . 0.0 109.323 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.29 -45.97 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.427 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -143.26 145.3 32.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.206 1.003 . . . . 0.0 109.685 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -124.85 111.05 15.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.134 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -121.81 148.09 45.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.365 1.078 . . . . 0.0 108.563 169.338 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.95 161.8 35.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.616 -167.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.35 -173.11 35.41 Favored Glycine 0 N--CA 1.46 0.248 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.182 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -81.22 126.72 31.87 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.465 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.44 HE22 HD13 ' A' ' 87' ' ' LEU . 7.1 pt20 -141.94 122.49 8.44 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.97 171.48 1.6 Allowed 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 121.351 1.368 . . . . 0.0 114.117 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.72 -42.09 56.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.86 -30.12 71.1 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.458 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -73.37 -41.54 63.27 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.539 173.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -57.48 -56.14 25.7 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.387 172.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.53 -44.93 85.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.986 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -50.3 73.86 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -56.2 -53.23 59.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.072 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.2 -30.42 60.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.623 -0.831 . . . . 0.0 112.616 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.7 62.13 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.153 -0.967 . . . . 0.0 112.33 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -67.53 -46.86 71.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.727 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.442 HG21 ' HG ' ' A' ' 77' ' ' LEU . 21.7 m -83.04 -24.99 8.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' HG3' ' A' ' 49' ' ' LYS . 87.0 mt -77.95 -29.81 50.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.711 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.708 177.328 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 122.113 0.958 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 159.9 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.032 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -134.97 111.78 10.09 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.189 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.962 1.363 . . . . 0.0 110.584 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' ASP . 6.8 t -156.48 157.32 35.26 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.8 p-10 -25.93 -54.42 0.06 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.84 -49.74 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.613 -0.679 . . . . 0.0 112.606 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -66.74 -32.52 73.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.606 0.717 . . . . 0.0 110.789 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -48.36 -48.71 36.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.053 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.86 -50.07 65.89 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.959 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.68 -35.9 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.984 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.47 93.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 pt -83.38 -24.23 8.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.631 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -71.24 -16.23 62.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -90.9 0.02 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.498 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.88 -60.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.026 -1.07 . . . . 0.0 111.133 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -72.5 146.53 88.92 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.222 -172.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HB3' HD21 ' A' ' 77' ' ' LEU . 25.9 Cg_exo -53.2 148.82 30.45 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.996 1.797 . . . . 0.0 115.575 -175.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -144.77 116.92 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 tp -78.93 130.0 35.12 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.218 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 94.9 t -106.7 141.68 21.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.494 -0.883 . . . . 0.0 108.626 175.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 115.29 24.54 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 69.4 m-85 -99.27 112.44 24.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.05 173.94 13.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.477 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.08 158.13 44.34 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.957 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.53 -33.85 35.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.509 -0.876 . . . . 0.0 111.479 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -74.45 1.36 12.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.462 -0.773 . . . . 0.0 112.629 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 72' ' ' ILE . 7.7 t -66.09 155.7 36.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.705 1.24 . . . . 0.0 112.975 -171.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.81 -61.98 0.99 Allowed Glycine 0 CA--C 1.521 0.445 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.29 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 74.4 Cg_endo -73.87 -12.57 24.07 Favored 'Trans proline' 0 C--N 1.328 -0.552 0 CA-C-N 119.533 1.667 . . . . 0.0 113.808 -175.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 m -73.45 -6.55 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.974 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -63.04 -33.39 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.622 -0.674 . . . . 0.0 112.166 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 44.8 mtt -68.89 -48.35 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.178 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.4 ptp -78.52 -0.99 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.55 -59.02 8.11 Favored Pre-proline 0 C--N 1.322 -0.613 0 O-C-N 121.341 -0.849 . . . . 0.0 113.288 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.17 -22.45 34.76 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 CA-C-N 121.607 1.61 . . . . 0.0 113.149 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.37 -49.66 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.357 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -68.23 -43.42 78.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.635 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.05 -32.95 72.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.584 173.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 8.3 t80 -74.92 -45.2 44.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -169.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.32 -29.63 69.87 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.68 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.84 -5.51 58.57 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.074 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.41 -56.45 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' HB2' HG12 ' A' ' 50' ' ' VAL . 91.3 m-70 -81.16 -54.21 5.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.91 -88.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 169.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.11 43.04 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.252 1.025 . . . . 0.0 110.468 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -153.49 -56.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.9 p -95.51 155.24 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.617 0.722 . . . . 0.0 109.654 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -117.15 96.62 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.55 96.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.48 168.48 10.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.804 0.811 . . . . 0.0 110.148 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.13 117.2 19.59 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.551 -170.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.34 116.58 23.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -78.21 122.57 25.84 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.459 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -70.2 -15.46 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.598 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -82.09 -50.73 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.525 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -76.43 -37.92 56.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.799 -0.761 . . . . 0.0 111.724 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -113.55 94.51 32.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.115 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -89.57 2.04 5.61 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 121.234 1.289 . . . . 0.0 113.691 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.37 -44.29 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.315 -0.954 . . . . 0.0 112.285 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 t -80.08 -31.93 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.598 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -69.91 -30.66 68.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.599 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 m -80.03 -30.34 39.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.216 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.28 -43.8 90.05 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.509 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -76.21 -36.38 58.64 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.004 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.93 64.63 0.95 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.6 mm -85.07 95.15 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mtm -89.2 -24.56 22.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.859 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.8 t -132.2 91.17 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.962 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.1 pp -73.57 146.42 86.01 Favored Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.643 172.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 83.6 Cg_endo -81.5 148.5 72.43 Favored 'Cis proline' 0 C--N 1.324 -0.748 0 C-N-CA 123.082 -1.633 . . . . 0.0 111.181 2.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.409 HG23 HG22 ' A' ' 88' ' ' ILE . 3.4 m -132.84 124.66 28.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.8 mt -113.98 138.58 50.16 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.63 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.8 mt -145.7 124.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 19' ' ' PRO . 9.0 tt -97.05 137.78 35.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.61 -1.236 . . . . 0.0 109.604 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -116.21 156.37 26.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.685 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -110.49 -75.05 0.63 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.118 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.18 51.62 0.76 Allowed Glycine 0 N--CA 1.462 0.385 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.162 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.31 25.45 36.56 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.767 -1.206 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 3.3 tmt_? -146.45 123.76 5.98 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.07 128.14 15.33 Favored 'Trans proline' 0 C--N 1.322 -0.816 0 C-N-CA 121.389 1.393 . . . . 0.0 111.17 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 t -71.76 -56.54 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.557 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -141.83 142.94 33.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.057 0.932 . . . . 0.0 108.698 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -120.47 112.97 19.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.669 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.5 pt? -114.93 152.36 32.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 169.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.66 169.73 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.415 1.102 . . . . 0.0 111.582 -166.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.74 -162.23 52.9 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.874 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -81.27 133.93 35.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.434 1.111 . . . . 0.0 108.573 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.99 108.22 15.24 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -48.81 158.03 1.36 Allowed 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.761 1.641 . . . . 0.0 112.797 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.43 -21.71 51.88 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.929 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.75 -46.28 72.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.727 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -65.48 -45.26 84.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.66 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.8 mt -57.41 -51.03 71.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.18 -39.42 92.64 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.85 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.1 66.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.883 0.849 . . . . 0.0 111.366 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -64.82 -50.93 64.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.37 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.75 -29.84 56.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.148 -173.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.77 -28.11 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.201 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.38 -42.12 83.89 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.578 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.66 -25.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.5 mt -81.7 -32.06 31.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.05 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.066 -177.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 HG23 ' A' ' 52' ' ' VAL . 68.5 p . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 121.851 0.834 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.3 tpt -92.94 165.75 12.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -140.37 119.07 12.39 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.09 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.88 -179.87 4.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.656 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -161.46 156.83 24.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -35.94 -43.3 0.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.88 -55.64 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.739 -0.601 . . . . 0.0 112.19 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -69.21 -22.91 63.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.447 0.641 . . . . 0.0 111.634 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.05 -51.82 62.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.352 0.596 . . . . 0.0 111.755 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -67.96 -29.03 67.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -76.24 -26.64 56.22 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.245 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.95 12.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.75 -0.594 . . . . 0.0 111.528 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 pt -74.97 -33.44 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.931 -172.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.79 -20.42 60.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.92 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.5 -81.47 0.06 OUTLIER Glycine 0 N--CA 1.461 0.338 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.641 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -164.6 -46.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.702 -1.199 . . . . 0.0 113.055 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.03 164.05 19.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.804 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.93 145.05 98.53 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 122.124 1.882 . . . . 0.0 113.463 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -149.99 118.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.0 tp -82.48 128.19 34.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.907 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.07 123.8 58.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -100.15 106.38 18.08 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -83.51 118.96 24.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -151.6 178.99 8.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.263 -0.975 . . . . 0.0 109.921 -169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.06 155.31 43.27 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.051 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.87 63.65 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.664 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -77.84 -2.73 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -63.02 150.26 42.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.262 1.03 . . . . 0.0 111.859 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.08 -66.05 1.32 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.461 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 -9.8 26.25 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 CA-C-N 119.186 1.493 . . . . 0.0 113.948 -175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 m -69.07 -24.48 64.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.108 -0.995 . . . . 0.0 111.092 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.02 -27.36 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.559 -0.713 . . . . 0.0 111.946 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.8 mtp -68.91 -27.49 65.82 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.005 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.7 mtp -77.66 -10.24 59.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.31 35.35 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.383 -0.823 . . . . 0.0 112.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.44 3.61 6.65 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 CA-C-N 121.498 1.571 . . . . 0.0 114.794 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.03 -44.8 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.918 -1.114 . . . . 0.0 110.599 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.79 -36.12 82.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.0 -42.12 97.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.481 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -73.83 -23.86 59.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.762 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 21.7 t80 -76.7 -46.51 25.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.615 0.722 . . . . 0.0 111.789 -176.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -66.34 -28.96 69.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.97 -11.83 54.63 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.381 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.936 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.443 ' HB2' HG12 ' A' ' 50' ' ' VAL . 90.7 m-70 -81.58 -63.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.86 -74.72 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -84.65 24.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.742 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -142.0 -46.62 0.35 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.024 -0.671 . . . . 0.0 109.695 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.443 HG12 ' HB2' ' A' ' 46' ' ' HIS . 6.0 p -95.93 148.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.934 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -115.08 82.51 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 166.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG23 HG22 ' A' ' 2' ' ' THR . 3.8 m -72.77 95.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.41 174.12 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.45 -170.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -137.32 104.75 5.48 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.585 -171.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tt -108.19 129.05 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -83.16 120.1 25.36 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.448 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.67 -20.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.298 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.39 -35.86 71.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.226 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.64 -48.39 8.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.796 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -107.15 116.74 57.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.86 -168.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -100.49 -6.19 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.032 1.155 . . . . 0.0 114.21 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.51 -39.52 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.876 -169.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -76.01 -32.51 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.988 -1.085 . . . . 0.0 111.931 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 t -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.946 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -78.88 -35.57 43.48 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.209 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -61.76 -42.15 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.902 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 78' ' ' PHE . 24.3 m-85 -93.55 -39.34 10.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.42 -0.912 . . . . 0.0 111.678 -174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.91 78.59 1.42 Allowed Glycine 0 N--CA 1.461 0.317 0 C-N-CA 119.57 -1.3 . . . . 0.0 110.211 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.32 119.28 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.9 mtt -91.77 -34.49 14.58 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.571 -0.852 . . . . 0.0 112.394 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -159.08 117.94 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.048 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.433 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.7 pp -76.52 151.22 82.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.494 174.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.34 144.84 69.56 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 C-N-CA 123.254 -1.561 . . . . 0.0 111.002 1.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.6 m -130.8 117.14 18.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.95 127.52 53.51 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.561 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.53 136.09 46.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 119.567 -0.853 . . . . 0.0 109.247 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -103.01 132.92 48.92 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 119.591 -0.844 . . . . 0.0 108.987 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.5 m-85 -115.88 143.5 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.698 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -100.31 -76.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.976 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.4 54.08 0.65 Allowed Glycine 0 N--CA 1.461 0.345 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.522 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.12 41.99 16.64 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.712 -1.232 . . . . 0.0 111.291 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -155.73 115.53 2.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.1 Cg_endo -73.39 119.7 6.12 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.273 1.315 . . . . 0.0 110.431 -172.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.45 -50.11 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.089 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -151.01 155.42 39.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.087 0.946 . . . . 0.0 109.726 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -137.96 126.93 24.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.83 0.824 . . . . 0.0 108.935 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 137.66 38.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.91 173.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.637 -164.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.2 -165.55 29.09 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.45 106.56 18.05 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 118.729 -1.188 . . . . 0.0 107.972 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.66 114.5 58.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.7 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.49 172.27 0.24 Allowed 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.885 1.723 . . . . 0.0 114.473 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -54.67 -35.69 63.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.83 170.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.29 -36.76 77.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.167 0.508 . . . . 0.0 111.505 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -73.41 -44.46 58.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.66 0.743 . . . . 0.0 110.503 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 10.9 mt -55.26 -57.67 10.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.506 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.51 -37.4 72.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.23 76.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.056 0.931 . . . . 0.0 110.893 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.19 -48.38 80.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.621 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -74.69 -28.05 60.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.284 -0.966 . . . . 0.0 112.864 -172.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.27 71.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.206 -0.998 . . . . 0.0 112.434 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.656 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.56 -21.91 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.1 mt -80.11 -36.22 35.65 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.299 -0.96 . . . . 0.0 112.912 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.242 -179.282 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 122.417 1.103 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.3 tpt -102.69 168.49 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.423 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 m -135.95 122.66 21.05 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.888 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.55 171.76 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.809 1.29 . . . . 0.0 110.436 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.7 t -151.76 160.02 43.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' THR . 8.3 p-10 -37.34 -43.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -169.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.98 -51.43 7.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.385 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -65.73 -31.42 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.028 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.11 -48.01 44.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.13 -40.04 96.44 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.425 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -75.08 -30.26 60.9 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.844 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.74 81.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.378 0.609 . . . . 0.0 112.278 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.55 -26.22 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.58 -173.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.67 -15.14 62.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -85.28 0.02 OUTLIER Glycine 0 N--CA 1.462 0.415 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.971 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -167.55 -67.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.157 -1.017 . . . . 0.0 110.257 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 143.79 86.93 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.657 -173.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -42.43 127.36 4.29 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 122.181 1.921 . . . . 0.0 114.596 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.1 t -117.76 118.42 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 21' ' ' LEU . 10.5 tt -90.71 131.37 36.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.829 -1.149 . . . . 0.0 109.156 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.9 130.83 61.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.433 171.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.46 107.59 18.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -82.06 126.44 32.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -144.26 170.58 15.72 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.936 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.47 153.25 51.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.765 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.44 65.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.398 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -81.53 -12.14 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.647 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.4 t -69.05 140.12 54.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.287 1.041 . . . . 0.0 111.463 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.95 -58.71 1.86 Allowed Glycine 0 CA--C 1.521 0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 74.1 Cg_endo -74.92 -1.26 10.96 Favored 'Trans proline' 0 C--N 1.326 -0.615 0 CA-C-N 119.877 1.839 . . . . 0.0 113.931 -173.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.5 m -73.56 -27.15 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.294 -0.962 . . . . 0.0 111.187 172.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.8 -27.13 64.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.237 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.7 mtp -63.24 -47.79 80.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.112 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.466 ' HA ' HG12 ' A' ' 38' ' ' VAL . 8.6 ptm -86.76 1.49 52.03 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.973 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -51.24 -52.28 60.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 O-C-N 120.874 -1.141 . . . . 0.0 113.084 173.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 94.9 Cg_endo -78.3 -23.75 8.52 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 CA-C-N 121.434 1.548 . . . . 0.0 113.523 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 35' ' ' MET . 3.9 p -74.78 -25.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.151 -1.019 . . . . 0.0 110.761 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.85 -30.71 62.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.052 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.96 -40.74 98.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.467 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.19 -31.0 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.564 0.697 . . . . 0.0 111.513 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.3 t80 -69.18 -39.86 78.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.623 0.725 . . . . 0.0 111.733 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.54 -25.98 66.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.439 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.55 -27.51 55.94 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.335 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -53.5 14.46 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.124 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.4 m-70 -88.66 -49.25 6.98 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.789 -176.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.99 -85.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.92 36.07 0.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.133 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -148.05 -35.67 0.21 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.501 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.6 p -122.64 141.36 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.277 -176.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -104.23 114.7 29.12 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.45 95.94 5.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.67 171.75 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.019 0.914 . . . . 0.0 111.782 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 117.45 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.617 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -114.69 123.24 48.78 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -87.18 113.37 22.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.102 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.65 -16.94 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.3 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.73 -42.36 64.2 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.025 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -75.15 -45.6 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.501 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -103.68 113.72 65.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.922 -170.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -95.28 -15.46 0.53 Allowed 'Trans proline' 0 C--N 1.326 -0.652 0 C-N-CA 121.082 1.188 . . . . 0.0 113.503 -170.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -88.75 -35.83 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.127 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.5 m -64.4 -39.32 93.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.54 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -69.14 -26.21 64.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.979 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.9 t -80.71 -32.86 35.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.85 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -62.61 -47.84 82.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.257 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.08 -29.27 16.64 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.765 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.07 80.37 1.21 Allowed Glycine 0 N--CA 1.461 0.312 0 C-N-CA 119.403 -1.38 . . . . 0.0 110.098 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.2 mm -91.0 101.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.9 mtt -79.97 -33.36 39.55 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.211 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -153.14 111.59 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.112 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.666 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -78.94 150.66 75.4 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.789 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.44 139.11 42.71 Favored 'Cis proline' 0 C--N 1.326 -0.638 0 C-N-CA 123.22 -1.575 . . . . 0.0 111.294 4.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -117.6 123.85 47.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.855 0.836 . . . . 0.0 109.412 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.3 122.81 42.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.67 125.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.458 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -95.47 127.5 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 83' ' ' PRO . 52.9 m-85 -109.59 149.82 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.82 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -141.74 106.97 4.98 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.43 68.28 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 119.783 -1.199 . . . . 0.0 111.945 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.68 52.39 20.69 Favored Glycine 0 N--CA 1.46 0.276 0 C-N-CA 119.909 -1.139 . . . . 0.0 111.047 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -156.46 105.69 2.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -175.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 71.8 Cg_exo -63.62 120.14 7.44 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.494 1.462 . . . . 0.0 112.223 -176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.36 -43.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.591 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -142.66 157.0 45.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.007 0.908 . . . . 0.0 109.562 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -137.7 102.79 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.451 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HB2' HE22 ' A' ' 91' ' ' GLN . 3.3 mp -94.73 163.94 13.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.062 172.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.475 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -147.83 138.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 109.36 -176.185 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.17 178.78 30.24 Favored Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.869 -1.158 . . . . 0.0 111.319 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -73.35 130.66 40.65 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.037 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.729 HE22 ' HB2' ' A' ' 87' ' ' LEU . 10.9 pt20 -133.11 121.27 16.65 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -54.45 168.25 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.921 1.747 . . . . 0.0 113.799 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 32.9 ttpt -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.633 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -69.26 -42.03 76.13 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.228 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.818 0.818 . . . . 0.0 110.67 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -63.83 -51.21 65.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.743 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.32 -46.01 85.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -46.12 86.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.97 0.89 . . . . 0.0 111.346 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.483 HE21 HD21 ' A' ' 87' ' ' LEU . 3.9 tp-100 -64.26 -54.52 32.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.279 -177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -26.84 62.72 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.17 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.09 65.85 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.946 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.82 -42.23 95.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.975 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.55 -27.31 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.609 -0.836 . . . . 0.0 113.152 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.45 -18.1 61.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.811 -178.046 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 HG22 HG23 ' A' ' 52' ' ' VAL . 40.3 p . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 122.098 0.951 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -85.17 170.9 12.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m -134.37 110.07 9.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.013 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.05 178.46 5.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.494 1.14 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -156.48 169.8 23.79 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -39.33 -50.7 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.69 -37.97 13.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.501 -0.879 . . . . 0.0 112.478 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -70.4 -33.35 71.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.77 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -54.52 -54.11 45.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.015 0.436 . . . . 0.0 111.83 176.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.04 -35.67 81.0 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.304 -0.959 . . . . 0.0 111.569 -175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -74.65 -30.94 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.823 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.09 90.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.463 0.649 . . . . 0.0 112.108 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.6 pt -76.48 -28.52 17.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.852 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -68.66 -11.11 59.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.9 -81.87 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.071 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -165.14 -50.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.854 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.6 172.37 4.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.152 -1.019 . . . . 0.0 112.587 -166.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 79.3 Cg_exo -59.85 140.13 91.62 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 C-N-CA 121.948 1.766 . . . . 0.0 114.158 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -144.76 112.55 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 52' ' ' VAL . 30.7 tp -83.04 125.7 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.914 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 10' ' ' PHE . 89.6 t -103.57 127.7 57.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 C-N-CA 119.234 -0.986 . . . . 0.0 108.406 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' HD13 ' A' ' 75' ' ' LEU . 8.1 m-20 -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 31.3 m-85 -89.8 126.8 35.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -155.0 177.82 10.89 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.848 -171.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.59 154.9 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.889 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.03 -33.73 70.6 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.259 -0.976 . . . . 0.0 111.411 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -74.5 -10.78 59.89 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.967 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.8 t -66.43 138.58 57.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.115 0.959 . . . . 0.0 111.487 -175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.3 -57.35 1.78 Allowed Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.145 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.9 Cg_endo -74.97 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 120.169 1.985 . . . . 0.0 113.591 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 m -66.04 -20.53 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.164 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -71.29 -24.94 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.694 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.2 mtt -60.49 -52.35 65.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.898 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ptp -79.03 -2.0 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.59 -0.844 . . . . 0.0 113.086 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.52 -59.42 9.51 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 120.963 -1.086 . . . . 0.0 112.454 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -69.42 -22.07 34.17 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 121.568 1.596 . . . . 0.0 113.093 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 93' ' ' LYS . 46.3 t -64.29 -44.46 97.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.739 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.42 -30.84 60.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.133 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.362 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.48 -36.39 80.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.543 0.687 . . . . 0.0 111.092 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 17.2 t80 -69.39 -39.35 78.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.708 0.766 . . . . 0.0 112.331 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.58 -29.55 69.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.699 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.5 -5.44 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.628 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.09 -53.21 8.66 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.129 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -92.24 -48.77 6.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 167.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.03 32.67 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.626 0.727 . . . . 0.0 111.275 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.5 tppt? -154.16 -45.18 0.09 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.851 -0.74 . . . . 0.0 109.85 -171.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.67 145.47 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.268 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -125.19 89.05 2.98 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 170.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 5.2 m -80.58 100.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 119.205 -0.998 . . . . 0.0 108.463 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.76 -175.86 3.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.595 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -137.79 111.8 8.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.051 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -106.35 123.28 47.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -78.68 109.62 13.06 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.069 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.95 -18.0 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.439 -0.904 . . . . 0.0 112.456 -172.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.3 -36.16 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.292 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.92 -47.58 18.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.361 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -96.3 117.36 66.22 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.2 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -102.64 6.89 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 120.896 1.064 . . . . 0.0 113.906 -169.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -92.29 -39.66 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.869 -173.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 t -78.31 -28.03 47.35 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.069 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -62.92 -31.02 72.01 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 112.094 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -80.09 -29.16 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.593 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.4 -47.0 68.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.29 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.84 -21.06 16.52 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.347 -0.941 . . . . 0.0 112.641 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.69 88.58 0.56 Allowed Glycine 0 N--CA 1.461 0.348 0 C-N-CA 119.368 -1.396 . . . . 0.0 110.32 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mm -107.28 100.11 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -109.61 10.12 25.02 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.535 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.6 t -163.64 119.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.715 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.555 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.4 pp -100.64 150.81 37.31 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.563 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.72 141.4 29.47 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 122.918 -1.701 . . . . 0.0 111.877 5.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 88' ' ' ILE . 2.3 m -111.97 123.1 49.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.838 0.828 . . . . 0.0 108.887 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD12 HD21 ' A' ' 21' ' ' LEU . 3.9 mm? -105.26 127.51 52.98 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.5 mt -136.67 127.04 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.2 tm? -97.54 129.33 44.7 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.646 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 19' ' ' PRO . 91.8 m-85 -114.48 159.46 20.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.065 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -130.47 -72.92 0.56 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.654 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.64 57.48 0.43 Allowed Glycine 0 N--CA 1.462 0.387 0 C-N-CA 119.428 -1.368 . . . . 0.0 111.026 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.76 41.35 83.51 Favored Glycine 0 N--CA 1.462 0.367 0 C-N-CA 119.691 -1.242 . . . . 0.0 111.991 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.6 122.73 1.45 Allowed Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.03 123.86 8.18 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.217 1.278 . . . . 0.0 110.052 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.33 -39.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.865 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -145.41 151.01 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.353 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -130.24 113.53 14.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.894 0.854 . . . . 0.0 109.418 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -129.99 150.13 51.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.113 0.958 . . . . 0.0 108.609 171.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.65 168.39 18.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 122.12 0.962 . . . . 0.0 110.778 -167.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.69 177.12 51.81 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.795 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.78 124.22 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.203 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.595 HE22 HD13 ' A' ' 87' ' ' LEU . 5.3 pt20 -128.04 127.51 23.84 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -47.74 164.2 0.17 Allowed 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 122.086 1.857 . . . . 0.0 114.918 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HB2' HG13 ' A' ' 38' ' ' VAL . 31.4 ttpt -63.57 -29.24 70.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.517 174.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -68.39 -38.22 81.13 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.904 -0.719 . . . . 0.0 111.027 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -64.58 -43.3 94.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.114 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.1 mt -62.03 -49.02 77.67 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.661 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.1 -38.87 92.91 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.297 -0.961 . . . . 0.0 112.16 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.18 80.21 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.579 -0.849 . . . . 0.0 111.048 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -58.57 -52.42 65.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -73.88 -35.32 64.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.376 -0.93 . . . . 0.0 112.473 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.72 -27.46 67.93 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 120.73 -1.231 . . . . 0.0 112.598 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.82 -45.29 75.12 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.272 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.471 HG21 ' HG ' ' A' ' 77' ' ' LEU . 29.4 m -83.82 -24.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 49' ' ' LYS . 95.9 mt -75.43 -40.4 57.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.823 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.239 179.113 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 122.211 1.005 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -87.61 163.63 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.056 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.7 m -132.98 118.95 19.46 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.379 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.31 172.64 6.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.815 1.293 . . . . 0.0 110.178 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.6 t -154.12 158.2 40.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.3 p-10 -34.91 -45.87 0.28 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.95 6.36 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.439 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -67.93 -28.55 67.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -51.26 -51.33 55.11 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -67.62 -34.86 77.85 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.599 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.23 71.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.323 0.582 . . . . 0.0 112.159 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.2 pt -76.83 -28.29 17.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.274 -173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.99 -14.3 61.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.56 -87.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.898 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.16 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.137 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.28 142.09 97.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.921 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -41.4 125.66 2.7 Favored 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 122.07 1.847 . . . . 0.0 114.151 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.94 115.97 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 21' ' ' LEU . 8.2 tt -86.48 112.2 21.29 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.3 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.62 126.97 41.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.259 -0.976 . . . . 0.0 108.499 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.51 107.37 19.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.4 125.64 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -149.76 170.05 19.64 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.48 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.87 46.23 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.411 173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -30.27 66.9 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.289 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -82.35 -9.65 59.38 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.688 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 72' ' ' ILE . 6.9 t -68.92 141.07 55.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.219 1.009 . . . . 0.0 111.466 -175.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.51 -60.2 1.65 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.856 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 65.0 Cg_endo -72.91 -5.05 16.49 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 CA-C-N 119.716 1.758 . . . . 0.0 113.894 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -70.83 -25.17 62.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.369 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.88 -26.34 64.13 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.327 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.6 mtp -66.88 -29.16 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.332 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.573 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 13.5 mtp -77.84 -16.61 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.577 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -49.68 -53.62 39.72 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 60.6 Cg_endo -70.79 -36.49 7.99 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 CA-C-N 121.641 1.622 . . . . 0.0 113.62 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.8 -36.36 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.306 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -74.13 -30.25 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.688 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.2 -38.22 78.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.282 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.67 -30.31 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.182 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 29.6 t80 -79.37 -40.52 29.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.453 0.644 . . . . 0.0 112.318 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.91 74.72 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.851 -0.739 . . . . 0.0 111.558 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -85.65 -10.65 55.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.782 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -57.06 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.307 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' HB2' HG12 ' A' ' 50' ' ' VAL . 88.9 m-70 -90.22 -58.61 2.44 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.814 -0.754 . . . . 0.0 108.989 -177.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.04 -69.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.8 27.93 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.692 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.4 tppt? -145.35 -40.7 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.475 -171.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 46' ' ' HIS . 12.0 p -115.96 139.36 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.704 0.764 . . . . 0.0 110.279 -174.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 m -104.87 106.42 16.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.21 96.66 6.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.64 -178.73 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.027 0.918 . . . . 0.0 111.786 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -140.57 111.18 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.054 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.25 121.36 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -84.16 115.36 22.37 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.708 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.13 -18.88 19.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.389 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.6 -44.97 40.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.294 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.33 -39.39 62.88 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.556 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -116.05 95.74 45.36 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.57 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -93.44 3.79 3.2 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.183 1.256 . . . . 0.0 113.532 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.19 -40.01 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.445 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 t -79.44 -28.78 41.65 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.051 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -66.74 -35.07 79.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.672 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.3 t -79.08 -29.19 43.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.323 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.13 -48.88 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.099 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -80.41 -36.59 33.58 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.693 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.63 77.21 1.31 Allowed Glycine 0 N--CA 1.461 0.312 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.1 121.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.831 0.824 . . . . 0.0 109.011 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.43 -51.2 68.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.065 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -170.42 127.45 0.8 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.409 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.518 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.0 pp -73.08 145.56 86.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.755 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 90.4 Cg_endo -80.18 141.38 57.18 Favored 'Cis proline' 0 C--N 1.324 -0.732 0 C-N-CA 123.071 -1.637 . . . . 0.0 111.26 2.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -124.33 124.03 41.5 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.91 127.25 53.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.251 -0.979 . . . . 0.0 109.68 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.79 129.89 55.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -96.52 124.54 40.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.815 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -111.36 135.77 51.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.079 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.83 -76.03 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.873 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.85 50.89 0.74 Allowed Glycine 0 N--CA 1.463 0.436 0 C-N-CA 119.524 -1.322 . . . . 0.0 110.55 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.62 43.99 11.3 Favored Glycine 0 N--CA 1.46 0.289 0 C-N-CA 119.733 -1.222 . . . . 0.0 111.086 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -158.36 119.27 1.9 Allowed Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.84 119.63 5.48 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.143 1.229 . . . . 0.0 110.8 -173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.75 -41.63 21.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -143.33 155.89 44.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.241 1.019 . . . . 0.0 110.061 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -140.3 108.42 5.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.845 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.4 pt? -122.74 153.01 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.94 167.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 122.13 0.967 . . . . 0.0 111.245 -167.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.36 175.43 44.82 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.95 -1.119 . . . . 0.0 110.323 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -73.92 123.68 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.598 -1.241 . . . . 0.0 108.844 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.45 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.6 pt20 -127.38 112.51 21.23 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.112 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -61.63 175.71 1.57 Allowed 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 121.41 1.407 . . . . 0.0 112.775 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.05 -29.3 68.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.539 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.49 -29.76 70.46 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.188 -1.005 . . . . 0.0 111.325 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.33 -42.0 23.76 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.958 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.89 -51.96 67.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.547 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -45.04 82.63 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.547 -168.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.77 76.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.076 0.941 . . . . 0.0 110.908 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.32 -45.83 87.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.127 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 103' ' ' VAL . 61.6 mt -85.71 -25.33 26.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -169.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.29 68.1 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.808 -1.182 . . . . 0.0 111.627 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.74 -44.6 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.654 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.1 m -86.81 -27.34 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD22 ' HG3' ' A' ' 49' ' ' LYS . 85.1 mt -74.36 -29.54 61.61 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.574 -0.85 . . . . 0.0 112.02 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.864 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 122.155 0.978 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -94.07 164.25 13.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.782 176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 m -131.39 116.78 17.99 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.216 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mp -104.47 169.56 8.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.986 1.374 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -153.58 166.95 31.16 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -38.45 -44.34 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.35 8.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.446 -0.784 . . . . 0.0 112.414 -174.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.74 -27.24 66.62 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.156 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 5' ' ' LEU . 66.6 t80 -55.52 -47.25 76.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.186 0.517 . . . . 0.0 112.207 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.38 -35.61 81.45 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.449 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.27 -26.8 52.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.973 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.71 51.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.311 0.577 . . . . 0.0 112.178 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 pt -74.92 -25.78 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.403 -174.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -74.57 -10.87 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.53 -87.64 0.02 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.253 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.33 -69.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -78.31 167.94 31.46 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.141 -169.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.81 136.35 65.45 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.955 1.77 . . . . 0.0 113.845 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -132.44 114.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 21' ' ' LEU . 9.6 tt -85.61 117.44 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.015 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.95 131.19 37.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HA ' HD22 ' A' ' 75' ' ' LEU . 2.5 m-20 -103.45 106.22 16.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -82.69 122.15 27.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -152.84 175.8 12.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.58 -0.848 . . . . 0.0 109.184 -170.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.87 44.77 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.619 172.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.48 63.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.607 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -85.81 -2.29 58.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.527 173.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.4 t -64.28 154.52 34.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.285 1.041 . . . . 0.0 111.834 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.536 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -100.51 -64.87 0.8 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.972 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.6 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 CA-C-N 119.23 1.515 . . . . 0.0 114.187 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 m -68.58 -29.51 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.948 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.23 -27.94 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.1 -0.64 . . . . 0.0 112.036 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.22 -45.54 87.8 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.074 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -85.48 1.7 47.74 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.056 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.07 -52.45 52.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 121.141 -0.974 . . . . 0.0 112.797 173.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 73.4 Cg_endo -73.52 -23.32 17.36 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-N 121.484 1.566 . . . . 0.0 113.975 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.3 m -73.62 -35.9 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.864 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.61 -38.15 90.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.56 -41.41 88.68 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.689 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.67 -29.15 70.42 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.084 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 15.7 t80 -76.55 -43.08 40.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.635 0.731 . . . . 0.0 112.166 -173.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.84 69.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.461 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.95 -5.45 53.11 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.75 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.25 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.408 -0.807 . . . . 0.0 110.079 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.452 ' HB2' HG12 ' A' ' 50' ' ' VAL . 76.5 m-70 -89.06 -51.37 5.64 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.794 -0.762 . . . . 0.0 108.945 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.43 -79.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 168.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -81.47 26.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.754 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.9 tppt? -141.29 -40.89 0.38 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.697 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.9 p -110.2 140.58 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.702 0.763 . . . . 0.0 110.198 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 m -110.21 107.58 17.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 168.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.31 94.66 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.9 -179.44 4.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.0 0.905 . . . . 0.0 111.661 -169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.52 114.32 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.768 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.58 125.13 49.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -83.71 125.31 31.75 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.3 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.54 -26.23 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.853 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -79.32 -45.18 20.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.944 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.92 -40.75 46.15 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.92 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -111.52 104.84 56.53 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.855 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -93.26 -6.71 2.66 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.234 1.289 . . . . 0.0 113.908 -170.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -79.77 -44.84 19.92 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.536 -171.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -30.72 31.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.874 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -67.52 -32.21 72.85 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.587 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -80.06 -30.23 39.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.577 -0.849 . . . . 0.0 111.219 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.57 -47.0 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.329 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.42 -33.6 32.08 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.46 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.08 71.76 1.25 Allowed Glycine 0 N--CA 1.46 0.292 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mm -83.34 106.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.1 mtt -86.05 -25.86 25.67 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.457 -175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -156.93 115.02 3.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.715 -1.194 . . . . 0.0 110.755 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.598 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -82.05 146.35 55.11 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.816 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.5 130.68 16.52 Favored 'Cis proline' 0 C--N 1.325 -0.67 0 C-N-CA 123.129 -1.613 . . . . 0.0 111.536 4.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.3 m -106.31 116.75 32.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 23' ' ' ASP . 12.7 mt -102.72 126.46 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.707 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.53 126.68 58.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -94.15 125.09 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.634 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.36 146.79 32.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -106.47 -75.11 0.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.907 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.86 56.94 0.5 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.494 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.53 43.73 35.83 Favored Glycine 0 N--CA 1.461 0.347 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.206 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.46 122.38 1.77 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -176.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.74 122.2 8.33 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.25 1.3 . . . . 0.0 111.001 -174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.56 -58.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.171 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -145.54 167.79 22.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 0.0 109.926 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -139.93 117.1 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.285 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.427 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -127.56 151.66 48.61 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 167.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -137.94 166.49 23.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.29 -165.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -175.35 47.79 Favored Glycine 0 N--CA 1.46 0.263 0 C-N-CA 119.823 -1.179 . . . . 0.0 110.809 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -74.9 129.44 37.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.304 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.427 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.9 pt20 -133.14 120.06 15.95 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -54.77 163.15 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.541 1.494 . . . . 0.0 112.674 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -61.32 -29.02 69.62 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.151 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -73.3 -40.59 64.4 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.954 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -66.73 -37.06 83.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.335 1.064 . . . . 0.0 111.104 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 42.3 tp -71.84 -38.45 70.12 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.204 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.75 -45.32 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.82 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.835 0.826 . . . . 0.0 111.227 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.95 -48.34 73.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.802 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 55.4 mt -81.79 -21.81 37.51 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.674 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.88 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.436 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.07 -43.15 79.26 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.73 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 100' ' ' LEU . 28.5 m -83.11 -29.38 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.493 -0.883 . . . . 0.0 113.103 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' A' ' 49' ' ' LYS . 84.8 mt -76.73 -30.11 56.48 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.239 -173.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.142 -179.238 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 122.158 0.98 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -93.69 164.56 13.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.179 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 m -134.56 118.23 17.04 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.66 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.56 174.86 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.843 1.306 . . . . 0.0 110.065 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.5 t -159.06 160.82 36.24 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.9 p-10 -34.28 -50.66 0.42 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -170.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.13 -45.6 12.82 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.59 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.77 -25.86 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.18 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.24 -47.45 72.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.32 -39.57 85.88 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.237 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -68.0 -35.56 78.51 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.711 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.31 0.576 . . . . 0.0 112.138 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.6 pt -77.07 -27.94 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.916 -0.714 . . . . 0.0 112.415 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.82 -10.69 60.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.62 -89.57 0.02 OUTLIER Glycine 0 N--CA 1.461 0.349 0 C-N-CA 119.809 -1.186 . . . . 0.0 112.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.1 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.004 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.19 161.09 80.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.52 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.15 136.37 72.96 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.744 1.629 . . . . 0.0 112.194 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.29 109.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 100' ' ' LEU . 1.1 tt -86.23 110.14 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.518 -1.273 . . . . 0.0 108.334 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' HD23 ' A' ' 21' ' ' LEU . 88.5 t -83.51 125.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 119.389 -0.924 . . . . 0.0 109.139 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.49 104.39 16.42 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -81.52 121.37 26.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -149.59 179.73 7.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.802 0.811 . . . . 0.0 109.518 -171.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.69 158.29 43.8 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.112 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.8 65.43 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.037 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -81.93 -2.99 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.63 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD13 ' A' ' 72' ' ' ILE . 18.2 t -65.46 141.84 58.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.383 1.087 . . . . 0.0 112.044 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.97 -59.73 1.75 Allowed Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.829 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 68.7 Cg_endo -73.96 -13.0 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 119.806 1.803 . . . . 0.0 113.797 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.1 m -68.62 -24.96 64.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.271 -0.971 . . . . 0.0 111.144 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.74 -29.03 70.0 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.278 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.67 -45.11 91.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.914 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 3.4 ptm -86.96 3.05 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.599 -0.84 . . . . 0.0 113.248 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.14 -52.64 63.91 Favored Pre-proline 0 C--N 1.322 -0.604 0 O-C-N 120.743 -1.223 . . . . 0.0 111.727 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 96.2 Cg_endo -77.3 -26.74 7.16 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 CA-C-N 121.275 1.491 . . . . 0.0 113.505 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -34.53 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.238 -0.914 . . . . 0.0 111.173 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.92 -33.29 63.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -65.41 -37.18 86.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.802 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.92 -35.39 80.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.715 0.769 . . . . 0.0 110.869 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 39.0 t80 -74.16 -44.51 53.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.487 0.66 . . . . 0.0 112.509 -174.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.18 66.96 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.819 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.59 -33.59 60.59 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.884 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -55.07 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.584 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.6 m-70 -85.03 -54.12 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.361 -176.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.74 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 169.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -85.9 36.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.993 0.901 . . . . 0.0 110.597 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -146.83 -39.57 0.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.557 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.3 p -110.03 144.12 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 0.0 109.924 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 m -109.9 101.65 10.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -85.16 95.49 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.73 -179.1 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.795 0.807 . . . . 0.0 111.729 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -142.78 115.11 8.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.209 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.02 127.34 53.71 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.94 116.71 23.51 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.356 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.8 -17.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.06 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.14 -45.96 17.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.731 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.99 -38.51 52.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.897 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -109.98 107.32 58.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.299 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -95.06 -6.9 1.77 Allowed 'Trans proline' 0 C--N 1.327 -0.577 0 C-N-CA 121.185 1.256 . . . . 0.0 113.859 -169.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.79 -44.98 16.23 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.341 -0.943 . . . . 0.0 112.238 -170.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -80.8 -27.29 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.798 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -69.94 -30.47 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.393 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -80.18 -34.39 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.905 174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.72 -45.16 95.32 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.46 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.6 -31.21 18.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.437 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.6 68.96 1.36 Allowed Glycine 0 N--CA 1.46 0.278 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.259 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.84 105.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.8 mtt -91.53 -24.75 19.53 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.449 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -146.02 103.82 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.484 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.644 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -78.23 150.43 77.28 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.503 173.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.38 146.05 76.03 Favored 'Cis proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.173 -1.595 . . . . 0.0 110.823 1.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.406 HG23 HG22 ' A' ' 88' ' ' ILE . 16.6 m -125.45 124.26 41.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.102 0.953 . . . . 0.0 109.263 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.22 122.55 44.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mt -135.06 130.84 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.041 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.88 130.89 38.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' N ' HD13 ' A' ' 77' ' ' LEU . 93.1 m-85 -121.09 131.88 54.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -106.62 -68.38 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.068 -1.053 . . . . 0.0 110.353 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.13 50.15 0.81 Allowed Glycine 0 N--CA 1.462 0.392 0 C-N-CA 119.591 -1.29 . . . . 0.0 111.021 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.03 44.3 12.16 Favored Glycine 0 N--CA 1.461 0.367 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.671 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -165.38 126.16 1.34 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 C-N-CA 121.268 1.312 . . . . 0.0 110.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.64 -51.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.605 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.76 161.85 37.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.993 0.901 . . . . 0.0 109.643 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -141.27 118.41 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.935 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -124.68 159.06 31.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 171.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.511 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.02 156.48 25.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.97 0.891 . . . . 0.0 110.781 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.19 -168.89 31.47 Favored Glycine 0 N--CA 1.462 0.385 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.609 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -81.48 132.75 35.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.305 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.451 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -132.53 114.03 14.37 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.42 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -57.79 171.47 1.5 Allowed 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 121.974 1.783 . . . . 0.0 113.384 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.91 -25.51 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.886 172.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.97 -36.94 85.18 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.549 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -79.56 -39.99 30.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.11 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mm? -58.34 -56.75 18.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.455 174.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.795 -169.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.33 86.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.955 0.883 . . . . 0.0 111.192 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.609 HE21 HD22 ' A' ' 87' ' ' LEU . 4.9 tp60 -62.3 -47.24 85.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.077 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 21' ' ' LEU . 3.9 mm? -73.99 -28.86 61.67 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.612 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.13 68.38 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 120.847 -1.158 . . . . 0.0 111.969 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.66 -41.11 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.685 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.452 HG21 ' HG ' ' A' ' 77' ' ' LEU . 33.7 m -84.67 -31.51 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.729 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.07 -29.81 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.944 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.919 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p . . . . . 0 N--CA 1.463 0.179 0 CA-C-O 122.028 0.918 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 tpt -91.02 162.77 14.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.1 m -130.69 113.15 13.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.94 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.49 170.75 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.262 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.68 159.49 43.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.6 p-10 -38.06 -43.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.509 -0.744 . . . . 0.0 112.194 -175.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.26 -30.52 71.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.342 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.84 -52.98 21.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.307 0.575 . . . . 0.0 112.42 175.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.771 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -77.88 -34.62 51.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.277 -0.969 . . . . 0.0 111.232 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.18 82.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 pt -72.47 -23.49 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.091 -0.643 . . . . 0.0 112.645 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -76.33 -13.71 60.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.28 -85.0 0.02 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.962 -173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.24 -58.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 118.799 -1.161 . . . . 0.0 112.046 -175.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 172.89 4.43 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.697 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -55.94 139.44 84.53 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 C-N-CA 121.763 1.642 . . . . 0.0 113.986 -177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -134.08 113.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 tp -87.4 114.84 24.37 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.345 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.3 t -97.32 130.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 118.784 -1.167 . . . . 0.0 108.665 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 117.56 34.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -94.34 118.85 32.22 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -150.8 173.11 14.6 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.795 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.56 153.69 48.71 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.305 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.808 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -86.7 1.79 50.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.54 ' SG ' HD13 ' A' ' 72' ' ' ILE . 8.3 t -72.96 146.0 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.334 1.064 . . . . 0.0 111.914 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.56 -59.78 1.5 Allowed Glycine 0 CA--C 1.521 0.46 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.833 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.43 -6.66 16.5 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 119.672 1.736 . . . . 0.0 113.787 -172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 m -70.4 -24.32 62.92 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.091 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -63.75 -27.07 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.67 -44.97 94.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.738 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.542 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.8 ptm -85.01 4.75 32.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.49 -49.99 51.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 173.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 71.9 Cg_endo -77.0 -30.23 4.61 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 121.591 1.604 . . . . 0.0 113.934 -176.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.37 -33.8 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 118.687 -1.205 . . . . 0.0 110.734 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -63.11 -34.72 78.21 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.22 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.13 -30.27 67.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.203 173.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 19.0 t80 -72.79 -45.82 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.494 0.664 . . . . 0.0 112.371 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.66 69.62 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.273 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -80.91 -10.26 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.311 -0.956 . . . . 0.0 111.841 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.36 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.442 -0.786 . . . . 0.0 110.724 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 86.8 m-70 -85.13 -51.07 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.258 -177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.22 -84.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 168.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.8 35.29 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.935 0.874 . . . . 0.0 111.264 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 15.7 tppt? -144.91 -44.26 0.23 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -170.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.73 166.26 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.588 1.185 . . . . 0.0 111.308 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -127.15 91.47 3.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 165.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -81.15 93.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.32 174.25 6.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.807 0.813 . . . . 0.0 111.3 -170.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -133.32 113.01 12.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.666 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -114.39 127.09 55.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -84.42 120.76 26.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.818 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.1 -23.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 119.512 -0.875 . . . . 0.0 112.203 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.25 -43.26 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.947 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.16 -36.79 29.76 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.784 -0.766 . . . . 0.0 112.18 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -113.75 102.21 54.58 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.402 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -97.07 -9.4 0.74 Allowed 'Trans proline' 0 C--N 1.326 -0.615 0 C-N-CA 120.99 1.127 . . . . 0.0 114.144 -169.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.35 -43.22 28.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.098 -1.041 . . . . 0.0 112.063 -172.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.6 t -77.41 -36.8 52.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.237 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 t -67.93 -30.18 69.44 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.5 t -79.62 -32.13 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.081 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -64.07 -43.27 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.205 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -81.68 -36.59 28.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.75 72.15 1.12 Allowed Glycine 0 N--CA 1.459 0.223 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.009 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.0 88.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 74.8 mtm -85.78 -11.84 52.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.608 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -148.4 87.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.815 -174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.54 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -70.37 147.62 95.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.865 171.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.78 146.5 81.76 Favored 'Cis proline' 0 C--N 1.324 -0.721 0 C-N-CA 123.409 -1.496 . . . . 0.0 111.74 3.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 HG22 ' A' ' 88' ' ' ILE . 15.5 m -138.96 126.04 21.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 35' ' ' MET . 18.3 mt -109.96 140.85 43.5 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.592 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.402 HG12 ' HG3' ' A' ' 86' ' ' GLN . 50.5 mt -134.69 125.24 45.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.81 125.32 41.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.294 -0.963 . . . . 0.0 108.653 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -107.59 137.32 45.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -106.65 -67.29 0.95 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.524 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.47 55.38 0.55 Allowed Glycine 0 N--CA 1.462 0.401 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.65 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.98 39.76 45.36 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.826 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -163.93 132.02 2.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.4 119.1 5.12 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.307 1.338 . . . . 0.0 110.522 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.54 -46.51 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.43 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -148.24 117.09 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.026 0.917 . . . . 0.0 108.976 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.402 ' HG3' HG12 ' A' ' 76' ' ' ILE . 38.7 tt0 -99.38 101.86 13.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.758 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.3 pt? -96.46 148.25 22.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.27 157.08 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.982 0.896 . . . . 0.0 110.645 -168.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.78 -165.89 38.81 Favored Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.582 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -78.19 120.35 22.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.193 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.542 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -117.47 108.85 42.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -58.04 172.66 1.16 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 121.866 1.711 . . . . 0.0 113.405 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.69 -38.84 70.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.211 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -64.06 -31.14 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.36 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.42 -42.92 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.562 173.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.649 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -54.35 -52.85 60.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.912 174.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.1 -40.85 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.453 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.25 76.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.882 0.848 . . . . 0.0 110.972 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.016 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.1 mt -90.22 -30.19 17.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -167.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.41 70.53 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.753 -1.217 . . . . 0.0 111.439 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.62 -44.09 91.64 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.352 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.62 -26.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD22 ' HG3' ' A' ' 49' ' ' LYS . 88.1 mt -76.74 -28.36 55.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.58 -173.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.708 -178.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 121.978 0.894 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ttt -97.42 161.34 13.83 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.797 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -135.37 121.14 19.63 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.106 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.13 175.5 5.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.531 1.158 . . . . 0.0 110.129 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.2 t -157.28 159.18 37.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' THR . 17.8 p-10 -36.46 -44.74 0.45 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.79 -48.75 11.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.458 -0.776 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -70.98 -29.98 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.12 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -48.81 -45.39 40.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.756 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.53 -32.24 70.14 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.332 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -49.78 36.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.323 0.582 . . . . 0.0 112.143 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 pt -74.25 -26.02 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.926 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -72.1 -7.94 51.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.85 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.461 0.343 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.108 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -147.89 -53.34 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.911 -1.116 . . . . 0.0 112.531 -173.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 16.0 ptpt -133.97 -177.63 0.73 Allowed Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.68 -169.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 22.2 Cg_exo -52.58 135.69 56.12 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.167 1.911 . . . . 0.0 116.075 -173.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.19 121.61 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -82.16 134.34 35.31 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.36 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.58 128.63 66.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 75' ' ' LEU . 1.1 m-20 -102.53 111.76 24.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -86.08 116.63 24.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -146.28 175.65 10.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.763 -169.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.17 153.32 43.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.35 69.14 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.97 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -82.64 1.33 38.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.66 132.67 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.316 1.055 . . . . 0.0 111.899 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -75.36 -61.76 2.9 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.405 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 54.4 Cg_endo -67.75 -15.54 44.48 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 CA-C-N 119.774 1.787 . . . . 0.0 114.227 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 15.9 m -68.17 -14.58 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.702 174.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.94 -39.26 77.64 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.783 -0.573 . . . . 0.0 112.436 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.3 mtp -67.34 -41.89 84.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.572 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 56.0 mtp -74.76 -9.19 58.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.9 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -51.32 -56.26 21.9 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 94.6 Cg_endo -75.75 -28.26 8.14 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 CA-C-N 121.623 1.615 . . . . 0.0 113.906 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.78 -32.63 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.723 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.85 -36.03 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.281 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.0 -45.28 89.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.678 175.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.22 -29.51 70.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.36 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 17.0 t80 -66.84 -43.0 84.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.57 0.7 . . . . 0.0 111.945 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -27.16 67.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.905 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -89.58 -10.36 46.33 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.842 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.59 -56.5 3.98 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.701 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.0 -44.62 16.43 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.11 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 73.32 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 168.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.84 -37.2 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.173 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.3 tppt? -65.05 -31.04 72.07 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.927 -0.709 . . . . 0.0 111.903 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.3 151.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.742 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -123.75 104.49 9.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 t -84.54 95.92 4.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.33 -175.46 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.802 0.811 . . . . 0.0 110.624 -173.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -142.28 119.0 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.858 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.75 122.59 40.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 171.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.75 126.45 32.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.887 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.94 -33.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.744 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.73 -35.58 79.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.965 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.33 -51.59 6.86 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.937 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -102.4 116.39 62.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.314 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -101.51 -11.46 0.19 Allowed 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 114.71 1.004 . . . . 0.0 114.71 -167.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.24 -40.31 21.79 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.142 -1.023 . . . . 0.0 112.995 -170.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -80.55 -35.02 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.633 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -67.76 -29.28 68.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 t -81.53 -32.92 32.08 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.489 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.77 -45.55 93.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.31 -38.15 51.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.914 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.66 71.07 1.03 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.176 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.43 HD12 HG21 ' A' ' 74' ' ' THR . 26.3 mm -93.18 104.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.9 mtt -94.0 -21.03 19.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -152.19 113.74 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.138 -174.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -86.14 149.06 49.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.022 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 97.3 Cg_endo -82.02 154.83 78.66 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 123.194 -1.586 . . . . 0.0 112.443 5.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 88' ' ' ILE . 5.6 m -142.21 119.24 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.004 -175.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.1 mm? -99.46 131.43 45.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.115 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -139.7 129.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.27 139.55 31.42 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.96 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.86 137.72 52.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.784 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -92.71 -75.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.853 -1.139 . . . . 0.0 109.59 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.92 58.6 0.7 Allowed Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.739 -1.22 . . . . 0.0 110.847 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.43 41.07 6.23 Favored Glycine 0 N--CA 1.462 0.372 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.773 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.97 126.68 0.65 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.88 125.99 9.11 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.31 1.34 . . . . 0.0 110.783 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.99 -65.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.819 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -147.13 154.23 40.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.717 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -125.98 121.45 33.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.024 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 139.19 44.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.69 173.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.388 -165.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.95 -166.59 31.26 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 72.5 t80 -90.28 121.85 32.66 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.85 -1.14 . . . . 0.0 108.899 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.38 126.87 25.06 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 172.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.03 171.9 0.21 Allowed 'Trans proline' 0 CA--C 1.513 -0.537 0 C-N-CA 121.809 1.673 . . . . 0.0 113.152 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -54.92 -40.47 69.89 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.869 -0.733 . . . . 0.0 112.213 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -76.16 -37.23 58.19 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.58 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.89 -43.66 87.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.086 0.946 . . . . 0.0 110.522 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 39.6 tp -65.72 -47.82 74.03 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.668 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -61.4 -38.44 87.09 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.463 -0.895 . . . . 0.0 112.014 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 91.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.696 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -69.45 -37.49 77.37 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.738 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.8 -36.32 62.48 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.816 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.85 65.89 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.45 -0.9 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.27 -38.16 63.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.738 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.4 m -78.41 -25.18 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 121.434 -0.791 . . . . 0.0 112.941 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' ' 49' ' ' LYS . 74.4 mt -77.88 -24.76 48.35 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.989 -172.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.756 178.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 122.275 1.036 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -96.61 160.59 14.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.613 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -137.4 115.91 12.0 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.046 175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.46 175.91 5.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.811 1.291 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 t -157.82 152.98 25.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -33.35 -47.28 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -168.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.88 -47.61 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.255 -0.903 . . . . 0.0 112.465 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -71.02 -27.89 64.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.105 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -52.5 -50.87 61.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.202 0.525 . . . . 0.0 112.036 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -68.06 -39.7 82.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.003 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -63.96 -33.65 76.2 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.532 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.61 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.817 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.72 -26.2 21.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.535 -172.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -71.86 -18.47 62.06 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.862 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -90.62 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 C-N-CA 119.461 -1.352 . . . . 0.0 112.001 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.51 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.154 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.48 131.89 95.22 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.895 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.66 133.21 43.74 Favored 'Trans proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.929 1.753 . . . . 0.0 113.304 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.16 121.02 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -83.05 121.57 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.638 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -95.77 135.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.533 174.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.62 108.11 16.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -85.82 127.09 34.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -154.66 176.3 12.59 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.186 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.24 153.77 43.14 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.103 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.7 -24.21 59.9 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.832 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -89.9 -4.2 57.66 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.126 -0.63 . . . . 0.0 112.501 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.93 142.92 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.51 1.148 . . . . 0.0 112.16 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.52 -60.16 1.84 Allowed Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.709 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 41.9 Cg_endo -65.38 -16.33 53.85 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 119.932 1.866 . . . . 0.0 113.952 -177.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -74.13 -18.72 60.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.221 -0.924 . . . . 0.0 111.734 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 33' ' ' ARG . 38.7 mtp180 -60.51 -31.54 70.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.9 mtp -79.38 -30.16 42.39 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.695 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.3 mtp -74.38 -8.54 56.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.61 -0.836 . . . . 0.0 113.032 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.94 -55.89 28.95 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 60.8 Cg_endo -72.73 -21.2 21.96 Favored 'Trans proline' 0 C--N 1.328 -0.508 0 CA-C-N 121.619 1.614 . . . . 0.0 114.51 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.37 -33.87 11.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.709 -1.245 . . . . 0.0 111.151 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.61 -38.72 70.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.64 -38.63 91.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.474 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.78 -26.49 66.12 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.509 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.2 t80 -72.14 -41.99 66.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.622 0.725 . . . . 0.0 112.058 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.98 -26.65 66.03 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.801 -0.759 . . . . 0.0 111.584 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -84.29 -15.22 47.46 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.259 -0.977 . . . . 0.0 111.751 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.92 -56.77 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.581 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' HB2' HG12 ' A' ' 50' ' ' VAL . 83.6 m-70 -84.99 -39.82 17.61 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.541 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.56 -98.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 167.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -88.55 20.05 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.086 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -110.45 -43.77 3.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.8 p -107.25 128.66 62.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.545 0.688 . . . . 0.0 109.269 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -92.75 100.93 13.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.2 92.59 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.13 178.61 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 0.0 110.381 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -141.7 117.04 10.14 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.799 -170.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -117.38 120.48 38.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -83.03 118.42 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.606 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.44 -24.02 27.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.228 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -73.48 -38.57 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.758 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.57 -52.67 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.258 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.25 124.83 52.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.482 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -101.85 -21.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.328 -0.538 0 N-CA-C 114.539 0.938 . . . . 0.0 114.539 -167.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -83.26 -36.96 24.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.895 -1.122 . . . . 0.0 113.311 -168.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -73.95 -29.54 62.06 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.914 -173.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.435 ' HA ' HG12 ' A' ' 69' ' ' ILE . 9.8 t -70.07 -33.54 72.05 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.344 -0.943 . . . . 0.0 111.978 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -82.06 -28.54 32.36 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.935 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.22 -46.21 71.18 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.506 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -83.88 -30.15 26.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.263 -0.975 . . . . 0.0 112.88 -174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.69 76.03 1.2 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -168.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 64' ' ' THR . 37.8 mm -69.22 120.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.471 ' HB2' HG21 ' A' ' 88' ' ' ILE . 94.5 mtp -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.049 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' MET . 37.1 t 174.5 128.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.0 pp -64.53 140.08 97.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 118.365 -1.334 . . . . 0.0 108.485 174.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.27 131.53 23.02 Favored 'Cis proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.549 -1.438 . . . . 0.0 111.685 5.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 88' ' ' ILE . 21.5 m -122.49 118.57 28.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.69 124.42 51.19 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.453 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.511 HD11 HE21 ' A' ' 86' ' ' GLN . 69.8 mt -138.2 128.45 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.014 -173.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tt -92.99 137.35 32.44 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.278 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -118.2 144.76 45.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.787 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -118.93 -63.44 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.604 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.36 52.63 0.8 Allowed Glycine 0 N--CA 1.463 0.452 0 C-N-CA 119.488 -1.339 . . . . 0.0 110.93 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.03 45.97 18.25 Favored Glycine 0 N--CA 1.462 0.374 0 C-N-CA 119.735 -1.221 . . . . 0.0 111.088 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -166.08 120.96 0.91 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 -173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.93 114.07 3.45 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.256 1.304 . . . . 0.0 110.337 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.5 t -68.04 -52.2 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.914 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.59 156.59 45.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.113 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.511 HE21 HD11 ' A' ' 76' ' ' ILE . 51.0 tt0 -138.35 112.65 8.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.112 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -140.41 155.55 46.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.005 0.907 . . . . 0.0 109.374 169.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -143.4 -175.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.443 -165.321 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.58 -171.32 55.15 Favored Glycine 0 N--CA 1.462 0.428 0 C-N-CA 119.945 -1.121 . . . . 0.0 111.284 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -80.35 127.46 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.216 -1.393 . . . . 0.0 108.48 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.679 HE22 HD13 ' A' ' 87' ' ' LEU . 10.1 pt20 -137.55 124.57 13.7 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 89.6 Cg_exo -55.9 173.97 0.35 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 121.429 1.419 . . . . 0.0 113.544 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.73 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.337 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.69 -33.9 77.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.366 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -70.11 -38.66 75.68 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.867 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.3 mt -67.27 -46.22 74.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.09 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.005 -171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.31 74.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.982 0.896 . . . . 0.0 110.951 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.468 ' HG2' HD21 ' A' ' 87' ' ' LEU . 6.8 tp-100 -59.87 -51.28 70.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 78.3 mt -82.0 -27.71 32.99 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.848 -167.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -28.03 69.74 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.921 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -75.5 -36.68 60.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.985 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 100' ' ' LEU . 11.2 m -76.96 -25.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.531 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.92 -26.49 60.54 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.026 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 171.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 122.391 1.091 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.5 tpt -97.32 166.35 11.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.322 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.3 m -132.74 118.09 18.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.963 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.35 169.76 8.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.77 1.271 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -159.54 154.47 24.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.82 -43.17 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -169.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.65 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.377 -0.827 . . . . 0.0 112.197 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -74.11 -28.81 61.53 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.356 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -49.58 -50.04 44.05 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.35 -42.31 83.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.376 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.1 -32.12 73.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.425 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.7 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.511 0.672 . . . . 0.0 111.667 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 pt -82.13 -19.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.168 -0.613 . . . . 0.0 112.238 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -74.88 -15.6 60.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.52 -86.37 0.03 OUTLIER Glycine 0 N--CA 1.463 0.437 0 C-N-CA 119.653 -1.261 . . . . 0.0 112.254 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -169.52 -50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.637 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -79.62 141.84 56.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.193 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -38.54 124.78 0.87 Allowed 'Trans proline' 0 C--N 1.326 -0.606 0 C-N-CA 122.529 2.152 . . . . 0.0 115.583 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.41 124.45 67.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.579 HD13 HD11 ' A' ' 100' ' ' LEU . 45.9 tp -84.63 135.49 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.549 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.27 130.21 67.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.74 111.42 24.13 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 73.0 m-85 -87.93 118.42 27.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -149.55 174.46 12.5 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.071 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.4 151.21 43.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.896 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.5 67.95 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.497 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.8 p-90 -82.46 8.89 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.7 t -78.07 144.92 36.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.554 1.168 . . . . 0.0 112.646 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.1 -56.49 2.05 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.911 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 80.2 Cg_endo -78.04 -7.07 16.21 Favored 'Trans proline' 0 C--N 1.327 -0.567 0 CA-C-N 119.933 1.867 . . . . 0.0 113.911 -173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.66 -14.47 60.36 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.368 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -63.22 -29.78 71.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.836 -0.54 . . . . 0.0 111.75 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.7 mtt -63.54 -46.61 85.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.246 -0.582 . . . . 0.0 111.155 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 5.2 ptp -85.35 -3.96 59.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.87 -51.3 47.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.488 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 61.3 Cg_endo -73.16 -25.95 15.37 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 CA-C-N 120.876 1.349 . . . . 0.0 114.134 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.07 -39.25 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 120.179 -1.576 . . . . 0.0 110.778 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' SD ' ' A' ' 35' ' ' MET . 73.3 mt -71.27 -35.68 71.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.11 -34.81 73.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.826 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.02 -29.68 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.722 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.3 t80 -74.47 -40.05 62.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.438 0.637 . . . . 0.0 112.543 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.21 -32.56 72.86 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.522 -0.871 . . . . 0.0 111.183 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -94.53 6.51 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.531 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 -54.35 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.991 0.9 . . . . 0.0 109.217 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 72.7 m-70 -92.83 -52.46 4.6 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 70.93 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.391 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -84.95 44.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.201 1.0 . . . . 0.0 109.965 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -152.22 -51.65 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.4 m -92.6 152.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.408 1.099 . . . . 0.0 111.282 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -112.98 91.5 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 161.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.67 93.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.06 178.53 4.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.926 0.87 . . . . 0.0 110.897 -170.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -137.29 105.93 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.594 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.4 tm? -108.96 115.56 30.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -81.69 127.75 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.873 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 69' ' ' ILE . 29.4 m -71.42 -17.82 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.981 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.4 -39.57 53.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.999 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -86.73 -53.28 5.03 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.658 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -92.28 127.48 48.78 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.301 -170.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -98.6 -27.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.079 1.186 . . . . 0.0 114.026 -168.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.73 -44.58 20.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.632 -168.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 t -77.97 -31.97 51.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.075 -1.05 . . . . 0.0 111.453 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -68.08 -37.82 81.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.867 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 t -81.5 -31.16 32.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.718 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.61 -41.32 97.29 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.776 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.44 -30.46 25.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.587 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 68.71 1.17 Allowed Glycine 0 N--CA 1.459 0.221 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.287 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 74' ' ' THR . 17.7 mm -100.37 93.03 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.165 -176.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 62.2 mtt -123.69 39.27 4.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.508 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -161.65 70.75 0.35 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.776 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.695 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pp -74.38 144.25 80.91 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.595 176.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 95.2 Cg_endo -83.88 141.14 37.72 Favored 'Cis proline' 0 C--N 1.322 -0.82 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.342 7.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 88' ' ' ILE . 5.2 m -123.89 117.04 23.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.838 0.828 . . . . 0.0 109.377 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -99.74 124.96 45.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.93 124.97 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -94.34 134.85 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.232 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 78.2 m-85 -110.48 158.11 18.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.575 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -138.08 -66.02 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.13 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.08 63.52 0.44 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.65 -1.262 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 37.44 93.82 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 119.638 -1.267 . . . . 0.0 111.664 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -164.14 123.02 1.26 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -171.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 59.2 Cg_endo -70.7 119.92 6.69 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.42 1.413 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.1 -46.67 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.011 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.36 149.29 37.52 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.601 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -135.96 122.35 20.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.644 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.8 pt? -134.88 150.4 50.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.581 HG22 HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -136.63 164.82 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.975 0.893 . . . . 0.0 110.998 -165.381 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.91 -179.15 50.18 Favored Glycine 0 N--CA 1.461 0.36 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.38 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.56 139.52 58.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.306 1.05 . . . . 0.0 109.936 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' HG2' ' CE ' ' A' ' 35' ' ' MET . 8.9 pt20 -145.27 116.34 5.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.25 169.09 1.67 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.359 1.373 . . . . 0.0 113.957 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -54.63 -39.52 68.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.094 176.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.83 -28.58 69.09 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.146 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -71.74 -42.58 67.1 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.26 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -56.62 -50.51 71.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 119.696 -0.801 . . . . 0.0 110.996 174.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.77 -43.76 79.05 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.497 -0.881 . . . . 0.0 112.244 -169.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.24 82.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.002 0.906 . . . . 0.0 111.087 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -61.58 -46.37 90.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.382 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.579 HD11 HD13 ' A' ' 21' ' ' LEU . 3.1 mm? -79.26 -39.41 33.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.585 -0.846 . . . . 0.0 113.203 -173.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.75 69.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.857 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.98 -46.12 92.02 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.803 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.7 -26.0 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.5 mt -73.81 -16.06 61.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.15 -177.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 121.937 0.875 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ttt -107.72 162.67 13.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.2 m -131.76 117.87 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.095 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.25 169.35 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.909 1.338 . . . . 0.0 110.851 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -149.56 160.88 43.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.765 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -33.65 -48.83 0.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.19 -52.51 6.2 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.078 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -67.43 -29.02 68.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.374 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HE1' HG11 ' A' ' 22' ' ' VAL . 83.1 t80 -50.59 -51.08 51.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.992 0.425 . . . . 0.0 112.13 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 68.1 mt-30 -61.32 -49.99 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.629 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.33 -37.92 85.03 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.538 -0.865 . . . . 0.0 112.038 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.23 74.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.311 0.576 . . . . 0.0 112.436 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 pt -75.39 -34.03 29.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.611 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 91.5 mm-40 -68.38 -12.41 61.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.4 -88.52 0.03 OUTLIER Glycine 0 CA--C 1.52 0.399 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.034 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -165.98 -53.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.757 -1.177 . . . . 0.0 112.985 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -75.86 168.04 31.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.524 -167.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -60.76 134.47 54.1 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 121.823 1.682 . . . . 0.0 112.997 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -141.02 113.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -81.74 105.13 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.082 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG11 ' HE1' ' A' ' 10' ' ' PHE . 86.3 t -80.86 122.09 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 174.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.91 109.29 21.67 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -84.76 126.67 33.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -162.78 176.19 10.52 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.444 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.6 151.53 49.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 169.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.56 -25.35 64.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.287 -0.965 . . . . 0.0 112.231 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -87.79 -5.18 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.527 -0.733 . . . . 0.0 112.918 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.3 t -54.71 140.24 36.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.456 1.122 . . . . 0.0 112.962 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.5 -61.91 2.02 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.988 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.35 -16.28 35.06 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 CA-C-N 119.988 1.894 . . . . 0.0 113.469 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 5.9 m -69.11 -19.71 64.05 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.394 -0.922 . . . . 0.0 111.128 173.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.85 -34.72 76.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.225 0.536 . . . . 0.0 111.681 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.6 mtp -63.42 -53.16 56.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.125 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.401 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.6 ptm -84.65 2.62 40.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.39 -53.19 47.72 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 121.111 -0.993 . . . . 0.0 112.415 174.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 84.4 Cg_endo -73.85 -17.02 23.04 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.102 1.429 . . . . 0.0 114.174 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 m -78.27 -36.31 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 120.587 -1.321 . . . . 0.0 110.226 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -39.03 84.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.793 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.4 -45.82 85.98 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.787 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.77 -29.53 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.399 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.8 t80 -66.99 -46.15 75.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.536 0.684 . . . . 0.0 112.176 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.35 71.34 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.872 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.05 -17.57 46.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.801 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.29 -57.35 4.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.644 0.735 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -83.98 -49.6 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.38 -83.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 167.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -83.3 34.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.781 0.801 . . . . 0.0 111.465 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.0 tppt? -143.49 -48.26 0.3 Allowed 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.825 -172.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -102.83 135.73 38.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.778 0.799 . . . . 0.0 110.47 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -102.69 103.06 13.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.79 89.86 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.01 174.29 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.021 0.915 . . . . 0.0 110.998 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -140.24 107.01 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.491 -0.884 . . . . 0.0 109.892 -170.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.31 124.92 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -81.13 123.75 28.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.742 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 72' ' ' ILE . 8.1 p -72.95 -19.29 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.207 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -79.52 -45.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.348 -0.845 . . . . 0.0 110.9 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.69 -48.78 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.739 -174.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -96.35 120.9 61.6 Favored Pre-proline 0 C--N 1.324 -0.541 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.956 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -102.32 -14.54 0.12 Allowed 'Trans proline' 0 C--N 1.329 -0.488 0 C-N-CA 120.684 0.923 . . . . 0.0 114.286 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -81.05 -33.65 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.131 -1.028 . . . . 0.0 112.78 -170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.6 t -82.31 -33.34 29.06 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.627 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -66.75 -26.37 66.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.712 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -78.74 -31.57 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.372 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -65.94 -40.86 91.74 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.864 -0.735 . . . . 0.0 111.832 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -94.25 -38.06 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.67 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.22 77.52 1.37 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 -173.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -96.04 111.4 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 75.4 mtm -92.85 -23.51 18.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.122 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 t -155.02 137.75 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.665 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 HG11 ' A' ' 57' ' ' VAL . 1.2 pp -95.49 151.81 38.83 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.639 169.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 71.6 Cg_endo -83.89 146.62 52.55 Favored 'Cis proline' 0 C--N 1.324 -0.736 0 C-N-CA 122.936 -1.693 . . . . 0.0 111.721 4.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 mt -105.67 133.24 50.74 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.771 -1.171 . . . . 0.0 109.684 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.1 mt -138.86 131.0 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -98.82 130.15 45.24 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.208 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -117.09 144.08 45.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -101.56 -84.0 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.143 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.89 49.31 0.86 Allowed Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.462 -1.351 . . . . 0.0 112.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.04 33.49 7.73 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.416 -1.373 . . . . 0.0 112.981 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -155.49 126.76 3.63 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.76 116.32 4.68 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.212 1.275 . . . . 0.0 110.313 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.83 -58.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.537 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -146.84 153.88 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.426 1.108 . . . . 0.0 110.049 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -127.68 131.54 49.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.215 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.27 148.76 43.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.454 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.27 160.86 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.857 -169.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.79 -157.81 30.14 Favored Glycine 0 N--CA 1.46 0.273 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.543 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -90.74 125.44 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.746 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.94 118.49 19.58 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -46.82 163.19 0.13 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 122.431 2.088 . . . . 0.0 115.674 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -51.8 -43.59 63.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.027 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.56 -30.77 71.55 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.145 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -74.2 -33.44 63.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.084 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -60.18 -47.58 85.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.039 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.29 -41.29 89.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.818 -170.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.17 -53.24 40.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.177 0.989 . . . . 0.0 110.599 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -50.27 -44.74 53.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.531 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 83.6 mt -88.08 -21.97 24.42 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -169.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.25 77.61 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 120.722 -1.236 . . . . 0.0 112.089 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -42.0 86.78 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.456 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.563 HG21 ' HG ' ' A' ' 77' ' ' LEU . 34.2 m -80.89 -29.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 49' ' ' LYS . 65.3 mt -74.73 -39.65 61.74 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.686 -0.806 . . . . 0.0 112.61 -172.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.716 -176.224 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 122.304 1.049 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -77.99 161.12 27.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.811 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.2 m -135.39 119.9 18.08 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.333 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.76 170.42 7.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.859 1.314 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.31 158.39 42.69 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.3 p-10 -31.54 -49.91 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -170.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.48 -54.26 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.215 -0.928 . . . . 0.0 112.314 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.98 -27.02 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.452 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -51.59 -48.7 63.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 23.4 mm100 -63.84 -54.59 32.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.107 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -54.73 -34.21 62.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.493 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.73 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.189 -0.605 . . . . 0.0 112.401 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.0 -24.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.929 -0.708 . . . . 0.0 112.702 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 68.4 mt-30 -72.42 -10.21 59.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -84.31 0.02 OUTLIER Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.961 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -157.03 -71.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.991 -1.083 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -95.42 -178.24 0.76 Allowed Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.886 -169.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 36.3 Cg_exo -56.94 140.26 91.7 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 121.72 1.613 . . . . 0.0 114.912 -171.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.06 119.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.6 134.91 33.91 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.692 -1.203 . . . . 0.0 110.173 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.1 t -107.88 131.87 57.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.24 109.62 21.51 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -87.66 119.15 27.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -145.77 173.83 11.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 109.049 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.02 153.5 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.154 172.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.76 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.726 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.41 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 36.7 p-90 -84.82 -9.87 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.763 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.13 139.5 58.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.362 1.077 . . . . 0.0 111.75 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.59 -60.97 2.24 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.07 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.97 -8.98 23.09 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 CA-C-N 119.625 1.712 . . . . 0.0 113.909 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -73.93 -15.97 61.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.725 176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.03 -37.61 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.728 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.2 mtt -66.42 -32.41 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.419 -0.912 . . . . 0.0 111.647 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.438 ' HA ' HG22 ' A' ' 38' ' ' VAL . 43.5 mtp -75.66 -13.98 60.34 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.041 -1.063 . . . . 0.0 113.124 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -54.01 46.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.92 -37.5 3.59 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 121.478 1.564 . . . . 0.0 113.48 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 35' ' ' MET . 34.1 m -67.81 -33.05 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.505 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.95 -34.05 64.13 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.713 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.16 -38.27 85.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.155 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.15 -26.38 64.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.686 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.1 t80 -72.18 -43.5 64.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.713 0.768 . . . . 0.0 111.313 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.09 66.52 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.456 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.12 -23.94 28.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.537 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -58.25 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 50' ' ' VAL . 84.3 m-70 -84.93 -53.61 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.986 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.16 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 170.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.6 38.76 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.9 0.857 . . . . 0.0 110.893 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 17.9 tppt? -149.96 -47.81 0.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.376 0.608 . . . . 0.0 109.415 -172.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.6 p -105.73 143.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 110.444 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -102.51 107.97 19.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.77 95.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 179.26 4.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -171.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -138.82 111.46 7.65 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.94 -172.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.96 121.5 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -82.9 124.4 30.31 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.702 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.5 m -68.07 -22.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.378 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 15.8 t70 -83.21 -46.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.825 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.36 -38.96 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.52 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -116.46 103.13 53.12 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -95.66 -7.92 1.39 Allowed 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.163 1.242 . . . . 0.0 113.527 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.13 -37.66 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.741 -171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -77.47 -36.71 52.57 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.229 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -67.11 -27.91 67.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.89 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -79.85 -31.19 40.49 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.4 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.39 -53.32 44.99 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.171 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.32 -32.34 64.53 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.643 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.26 71.58 1.24 Allowed Glycine 0 N--CA 1.459 0.204 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 HG21 ' A' ' 74' ' ' THR . 41.3 mm -82.67 115.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.8 mtt -79.06 -40.32 31.57 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.569 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.0 t -159.51 118.48 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.703 -1.199 . . . . 0.0 110.974 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.445 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.5 pp -72.68 149.44 90.6 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.626 172.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.49 144.23 76.7 Favored 'Cis proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.325 -1.531 . . . . 0.0 111.283 2.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 69' ' ' ILE . 14.8 m -128.58 121.87 29.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.843 0.83 . . . . 0.0 109.0 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -105.5 115.98 31.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.93 125.32 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.056 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -93.4 123.65 36.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.61 142.47 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.3 -68.47 0.85 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.945 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 55.45 0.69 Allowed Glycine 0 N--CA 1.461 0.366 0 C-N-CA 119.69 -1.243 . . . . 0.0 110.507 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.19 38.12 47.45 Favored Glycine 0 N--CA 1.462 0.406 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.826 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 124.59 2.57 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 -174.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.26 120.3 6.9 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.544 1.496 . . . . 0.0 111.067 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.66 -51.66 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.785 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -140.97 155.51 46.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.234 1.016 . . . . 0.0 109.418 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -136.9 113.95 10.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.629 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD22 HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -132.79 130.52 39.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -127.87 -177.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.312 1.053 . . . . 0.0 111.845 -165.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -172.09 40.98 Favored Glycine 0 N--CA 1.46 0.293 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -82.95 121.93 27.63 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.462 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.533 HE21 HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -125.58 116.86 24.81 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.063 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -54.77 170.04 0.7 Allowed 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 122.023 1.816 . . . . 0.0 113.768 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 36.2 ttpt -58.82 -31.66 68.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.188 172.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.93 -40.44 79.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.327 -0.858 . . . . 0.0 111.738 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -70.68 -40.89 72.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.828 0.823 . . . . 0.0 110.788 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.9 mt -60.82 -43.52 98.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.56 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 42.2 mt-10 -67.31 -38.9 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.115 -1.034 . . . . 0.0 112.121 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.47 68.99 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.615 -0.834 . . . . 0.0 111.255 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.69 -40.88 84.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.434 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 82.6 mt -89.43 -25.32 21.58 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -168.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.21 73.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.843 -1.161 . . . . 0.0 111.563 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -40.17 86.05 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.105 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.491 HG21 ' HG ' ' A' ' 77' ' ' LEU . 19.4 m -85.33 -26.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.23 -30.69 65.14 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.907 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.157 179.234 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 122.042 0.925 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.86 161.07 16.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.069 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -133.28 117.8 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.598 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.413 HD13 ' HB1' ' A' ' 53' ' ' ALA . 6.2 mp -102.2 169.83 8.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.877 1.323 . . . . 0.0 111.074 -176.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.8 t -147.75 156.77 43.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.696 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.4 p-10 -31.67 -49.75 0.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.46 -46.72 9.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.313 -0.867 . . . . 0.0 112.827 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.37 -30.83 71.69 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.937 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -50.06 -48.54 52.93 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.192 0.52 . . . . 0.0 112.341 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.16 -36.63 83.6 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.732 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -78.69 -29.06 45.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.955 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.5 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.418 0.628 . . . . 0.0 112.219 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.28 -22.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.079 -0.649 . . . . 0.0 112.42 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -79.45 -25.09 42.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.435 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.55 -82.04 0.43 Allowed Glycine 0 N--CA 1.46 0.264 0 C-N-CA 119.754 -1.212 . . . . 0.0 113.934 -170.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.26 -164.99 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.371 1.081 . . . . 0.0 112.591 -167.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.47 -175.75 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.109 -177.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' LYS . 6.0 Cg_exo -39.84 123.17 1.17 Allowed 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 122.102 1.868 . . . . 0.0 115.87 -176.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.55 117.03 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -87.74 109.61 19.84 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.168 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 131.8 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.009 -1.076 . . . . 0.0 108.919 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.09 113.19 25.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 79.2 m-85 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -149.88 177.71 9.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.29 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.52 45.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.191 -1.003 . . . . 0.0 109.021 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.03 63.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.746 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.421 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 42.6 p-90 -81.34 -8.64 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.527 -0.869 . . . . 0.0 112.408 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.5 t -67.46 141.84 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.217 1.008 . . . . 0.0 111.753 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.85 -58.95 1.55 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.033 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.1 Cg_endo -74.82 -4.13 14.94 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 CA-C-N 119.889 1.844 . . . . 0.0 113.752 -174.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -26.82 62.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.979 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.1 -20.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.119 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.85 -51.09 71.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.828 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.442 ' HA ' HG12 ' A' ' 38' ' ' VAL . 7.5 ptm -87.93 1.72 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.44 -0.904 . . . . 0.0 113.248 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.02 -53.51 51.02 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 174.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 95.6 Cg_endo -74.42 -25.74 12.84 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 121.535 1.584 . . . . 0.0 113.151 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 35' ' ' MET . 2.8 p -75.3 -30.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.499 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.81 -30.38 66.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.48 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.76 -32.89 71.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.957 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.68 -30.07 69.51 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.591 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.514 ' CZ ' HD12 ' A' ' 100' ' ' LEU . 8.2 t80 -70.49 -43.3 70.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.609 0.719 . . . . 0.0 111.834 -176.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -19.49 64.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.732 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -30.86 55.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.393 174.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.13 -52.32 7.92 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.002 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' VAL . 97.5 m-70 -82.79 -52.46 6.73 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.543 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 -85.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -84.77 24.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.729 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HG3' HD22 ' A' ' 104' ' ' LEU . 14.1 tppt? -133.07 -38.31 0.97 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.237 -171.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 46' ' ' HIS . 9.9 m -103.3 146.95 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.359 1.076 . . . . 0.0 110.558 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.9 m -108.55 93.75 4.69 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 163.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.18 90.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB1' HD13 ' A' ' 5' ' ' LEU . . . -101.09 171.8 7.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.231 -170.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -146.72 115.35 6.78 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.065 -1.054 . . . . 0.0 110.642 -174.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.66 128.13 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.43 115.69 21.56 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.906 -1.117 . . . . 0.0 108.554 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.84 -23.7 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.574 -0.851 . . . . 0.0 112.01 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 31.1 t70 -75.14 -48.31 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.854 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -68.69 -42.39 77.87 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -112.56 105.16 56.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.945 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.2 -16.32 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.03 1.154 . . . . 0.0 113.558 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.59 -28.75 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.046 -1.062 . . . . 0.0 111.928 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -72.62 -44.76 61.52 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.175 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -64.89 -29.64 70.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.427 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -83.11 -27.97 29.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.684 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.32 -48.63 79.0 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.951 -0.699 . . . . 0.0 110.999 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.11 -36.85 24.5 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.885 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 81.94 1.56 Allowed Glycine 0 N--CA 1.459 0.191 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -92.49 96.41 6.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.2 mtt -83.21 -25.02 32.12 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.396 -0.922 . . . . 0.0 112.312 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -149.15 112.25 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.069 -176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.589 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -81.26 147.97 62.04 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.307 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -86.5 132.71 14.56 Favored 'Cis proline' 0 C--N 1.325 -0.71 0 C-N-CA 123.213 -1.578 . . . . 0.0 110.804 2.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 88' ' ' ILE . 3.6 m -103.05 126.44 50.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.634 0.731 . . . . 0.0 109.14 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.6 125.78 51.38 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.28 130.09 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 19' ' ' PRO . 3.3 tm? -99.03 123.04 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.265 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -108.49 137.96 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -106.18 -71.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.141 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 56.53 0.56 Allowed Glycine 0 N--CA 1.462 0.403 0 C-N-CA 119.568 -1.301 . . . . 0.0 110.657 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 43.36 23.2 Favored Glycine 0 N--CA 1.462 0.384 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.509 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -169.52 124.1 0.7 Allowed Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -173.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.78 121.69 7.21 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 121.27 1.314 . . . . 0.0 110.167 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 m -77.69 -46.18 27.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.118 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HD2' HE22 ' A' ' 99' ' ' GLN . 97.5 mttt -144.58 165.39 28.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.397 1.094 . . . . 0.0 110.021 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -140.32 111.65 7.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.515 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -124.16 154.93 39.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.019 0.914 . . . . 0.0 108.552 170.261 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.85 165.96 30.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.138 0.97 . . . . 0.0 111.268 -166.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.29 177.53 51.87 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 119.997 -1.097 . . . . 0.0 111.893 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.28 129.33 39.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.459 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.557 HE22 HD13 ' A' ' 87' ' ' LEU . 6.3 pt20 -136.42 127.8 16.88 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -56.44 166.36 3.57 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 121.591 1.527 . . . . 0.0 113.418 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 31.7 ttpt -57.95 -33.04 68.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.936 175.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.39 -36.55 84.31 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.828 -0.749 . . . . 0.0 112.002 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -70.95 -40.86 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.2 mt -64.33 -43.49 94.48 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.833 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.47 -41.29 72.95 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.64 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.3 85.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.111 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.679 HE22 ' HD2' ' A' ' 85' ' ' LYS . 30.6 tp60 -58.46 -53.14 61.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.461 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 70.0 mt -81.17 -27.79 35.27 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.573 -168.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.72 72.2 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 120.827 -1.171 . . . . 0.0 111.885 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.03 -43.96 97.73 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.817 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.22 -23.42 7.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 49' ' ' LYS . 67.2 mt -78.78 -26.89 44.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -170.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 119.184 -1.006 . . . . 0.0 111.409 -174.013 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 122.327 1.061 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -90.98 161.95 14.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.216 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -131.33 117.86 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.593 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.76 174.56 5.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.783 1.278 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.8 t -159.62 166.39 30.78 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.5 p-10 -36.92 -48.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -170.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.2 -49.23 9.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.491 -0.756 . . . . 0.0 112.521 -175.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.4 -30.85 68.91 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.272 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.22 -47.96 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt-30 -61.94 -46.53 88.92 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.177 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.6 -29.24 65.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.426 -0.909 . . . . 0.0 112.34 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.75 90.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.419 0.628 . . . . 0.0 112.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 pt -78.63 -21.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 63.8 mt-30 -75.92 -11.28 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.22 -86.62 0.03 OUTLIER Glycine 0 N--CA 1.464 0.507 0 C-N-CA 119.601 -1.285 . . . . 0.0 112.938 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -165.03 -63.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.209 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -66.22 160.38 65.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.671 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.63 131.53 46.23 Favored 'Trans proline' 0 C--N 1.325 -0.66 0 C-N-CA 121.635 1.556 . . . . 0.0 112.734 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.0 t -124.67 111.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.31 108.13 17.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.929 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -82.38 138.72 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.65 175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -111.56 107.16 16.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -83.87 122.71 29.07 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -151.57 176.06 11.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.875 -170.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.58 157.47 46.09 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.012 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.53 -29.53 63.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.539 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.1 p-90 -81.58 -3.62 53.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.503 173.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.75 140.87 55.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.318 1.056 . . . . 0.0 111.682 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.19 -60.58 1.82 Allowed Glycine 0 CA--C 1.521 0.42 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.677 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 66.0 Cg_endo -73.41 -11.35 24.58 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 CA-C-N 119.698 1.749 . . . . 0.0 113.88 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.6 m -70.75 -27.25 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.074 -1.05 . . . . 0.0 110.786 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.25 -23.83 63.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.157 -0.617 . . . . 0.0 112.466 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.57 -45.1 95.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.847 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -80.89 -1.8 44.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -48.97 -59.02 7.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 120.995 -1.066 . . . . 0.0 112.966 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 88.6 Cg_endo -71.55 -20.75 26.66 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-N 121.489 1.567 . . . . 0.0 113.045 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.22 -46.61 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.145 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.35 -37.57 87.96 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.235 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.49 -42.05 98.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.149 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.93 -28.74 64.72 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.48 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.4 t80 -71.42 -43.56 66.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 111.546 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.2 66.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.007 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.17 -15.74 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.425 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.53 -57.02 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.43 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 81.1 m-70 -81.92 -51.03 8.49 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.232 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.54 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.95 30.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.209 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 42.7 tptt -137.57 -44.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 -172.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 m -105.91 145.85 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 122.381 1.086 . . . . 0.0 111.225 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -113.06 91.8 3.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 162.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.25 97.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.03 -177.6 3.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.998 0.904 . . . . 0.0 111.53 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -138.47 119.97 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.23 -173.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.89 124.53 43.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 173.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.78 121.51 27.0 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.287 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.85 -23.4 29.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.139 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.99 -47.15 13.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.804 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.49 -41.39 60.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.988 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -104.21 115.2 63.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.958 -170.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -98.73 -16.37 0.2 Allowed 'Trans proline' 0 C--N 1.327 -0.59 0 C-N-CA 120.953 1.102 . . . . 0.0 113.832 -169.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.56 -38.43 21.69 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.847 -169.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 t -83.56 -29.97 27.4 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 118.921 -1.112 . . . . 0.0 111.973 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.7 -33.97 74.86 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.584 -0.847 . . . . 0.0 111.624 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -80.28 -30.23 38.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.36 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -65.46 -49.98 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.646 -0.821 . . . . 0.0 110.944 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.36 -36.22 46.39 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.419 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.18 76.45 1.31 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.0 mm -85.15 109.87 18.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.2 mtp -82.77 -34.48 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.232 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -159.18 116.58 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.802 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.9 pt -79.53 147.87 68.68 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.435 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.66 127.42 13.53 Favored 'Cis proline' 0 C--N 1.326 -0.634 0 C-N-CA 123.123 -1.615 . . . . 0.0 111.464 6.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 m -107.72 115.85 30.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.07 127.17 52.76 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.102 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.33 129.67 67.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -175.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.4 tm? -96.24 124.45 40.25 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -112.11 150.27 30.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -103.84 -85.54 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.186 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 51.41 0.7 Allowed Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.11 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.87 36.42 6.77 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.777 -1.202 . . . . 0.0 111.95 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -157.11 126.41 3.13 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.06 119.53 5.88 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.417 1.411 . . . . 0.0 110.604 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.4 t -67.74 -60.5 2.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.34 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -149.84 156.68 42.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.198 0.999 . . . . 0.0 109.78 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -119.11 116.43 26.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.617 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 pp -120.87 149.54 42.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -138.86 171.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 122.117 0.961 . . . . 0.0 111.138 -165.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.56 173.21 49.57 Favored Glycine 0 N--CA 1.46 0.242 0 C-N-CA 119.797 -1.192 . . . . 0.0 110.635 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -79.56 119.88 23.14 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.384 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -117.82 133.13 23.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 92.4 Cg_exo -55.92 168.76 1.64 Allowed 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 121.695 1.597 . . . . 0.0 114.024 -176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -66.2 -38.69 88.6 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.559 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -70.62 -34.86 72.56 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.745 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.48 -45.67 86.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.442 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 18.0 mt -57.73 -48.16 80.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.16 -41.35 98.22 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.179 -172.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.98 78.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.989 0.9 . . . . 0.0 111.122 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.101 -175.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 100' ' ' LEU . 4.2 mm? -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.043 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -27.77 62.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.942 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.99 -43.22 88.43 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.671 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.17 -26.82 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.901 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.04 -30.29 49.77 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.106 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.407 -178.56 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 122.057 0.932 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.74 163.93 19.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.5 m -128.33 115.0 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.383 174.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD23 ' CD2' ' A' ' 10' ' ' PHE . 4.8 mp -96.93 169.81 9.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.629 1.204 . . . . 0.0 110.214 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -157.46 177.47 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.121 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -43.0 -54.23 4.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.32 -32.69 16.4 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.659 -0.816 . . . . 0.0 112.558 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.96 -28.4 61.47 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.121 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CD2' HD23 ' A' ' 5' ' ' LEU . 63.7 t80 -62.35 -45.26 93.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.221 0.534 . . . . 0.0 111.959 176.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.66 -41.32 98.21 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.072 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.81 -31.3 72.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.718 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.33 29.55 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.219 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 pt -79.5 -26.36 12.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 119.361 -0.935 . . . . 0.0 112.759 -172.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.11 -12.59 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.699 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.93 -89.16 0.09 OUTLIER Glycine 0 CA--C 1.519 0.303 0 C-N-CA 119.677 -1.249 . . . . 0.0 112.509 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -169.08 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.575 -173.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -67.0 140.92 96.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.063 -174.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -42.54 129.15 4.95 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.867 1.711 . . . . 0.0 113.634 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.83 112.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.0 106.88 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.288 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.17 120.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.179 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.18 110.4 22.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.438 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 94.5 m-85 -85.59 125.87 33.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -148.33 178.18 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.514 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.98 158.19 44.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.186 -1.006 . . . . 0.0 109.791 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.66 -26.7 60.87 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.63 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -84.72 -4.93 59.27 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.209 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.6 t -66.43 150.64 48.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 112.391 -173.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.506 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -96.32 -59.95 1.02 Allowed Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.791 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 68.6 Cg_endo -73.84 -5.72 17.48 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 119.727 1.763 . . . . 0.0 113.589 -175.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -69.41 -28.09 65.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.075 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -67.01 -27.52 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.808 173.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.38 -38.36 71.52 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.472 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.7 mtp -77.8 -11.67 59.91 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.336 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.16 -50.59 78.15 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -176.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 92.3 Cg_endo -81.67 -11.9 11.36 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-N 121.836 1.691 . . . . 0.0 113.978 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -87.73 -36.38 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.82 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.72 -39.05 84.32 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.61 -36.43 84.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.406 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.57 -30.46 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.014 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 11.7 t80 -65.79 -45.84 80.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.733 0.777 . . . . 0.0 111.354 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.9 -23.78 65.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.839 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.2 -35.34 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.385 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -50.86 19.62 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.531 -175.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 50' ' ' VAL . 95.5 m-70 -85.05 -52.77 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.525 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.1 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 169.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -83.25 15.05 3.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.331 -176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -122.36 -30.66 3.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.182 0.515 . . . . 0.0 110.062 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 46' ' ' HIS . 13.4 p -122.91 125.76 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.537 0.684 . . . . 0.0 109.413 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.5 m -92.87 93.84 8.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 170.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -85.98 99.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.71 178.02 4.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.135 0.969 . . . . 0.0 111.896 -168.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -141.28 110.49 6.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.916 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 tt -117.9 132.1 56.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 171.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -82.54 124.05 29.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.496 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -61.54 -30.83 49.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.229 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.14 -43.8 13.53 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.23 -42.18 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.163 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -112.67 99.16 46.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -100.27 8.94 0.67 Allowed 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 120.894 1.062 . . . . 0.0 113.809 -166.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -82.52 -35.2 27.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.721 -172.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.3 t -82.33 -33.21 29.01 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.56 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.6 t -67.37 -26.34 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.765 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.9 p -74.18 -29.84 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.34 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -69.46 -49.47 54.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.13 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.99 -36.1 23.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.882 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.15 77.21 1.06 Allowed Glycine 0 N--CA 1.461 0.343 0 C-N-CA 119.714 -1.232 . . . . 0.0 110.065 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.67 111.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.5 mtm -95.54 -18.06 20.91 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.33 -172.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.3 t -150.04 99.55 2.83 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 118.642 -1.223 . . . . 0.0 111.209 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.7 pp -80.92 149.15 66.42 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.484 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.95 146.55 51.94 Favored 'Cis proline' 0 C--N 1.327 -0.594 0 C-N-CA 122.964 -1.682 . . . . 0.0 111.286 2.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' HG22 ' A' ' 88' ' ' ILE . 5.9 m -125.13 123.85 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.89 0.852 . . . . 0.0 109.453 -174.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.77 121.16 41.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.9 124.65 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -100.97 131.57 46.79 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.894 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.36 142.99 44.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.97 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -97.37 -76.18 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.743 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.29 61.17 0.51 Allowed Glycine 0 N--CA 1.463 0.464 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.048 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.8 43.02 36.69 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 119.735 -1.221 . . . . 0.0 110.951 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 111.39 2.9 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.53 115.81 4.44 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.3 1.333 . . . . 0.0 110.112 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.05 -48.89 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.449 -0.9 . . . . 0.0 110.381 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -146.24 147.91 31.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.58 1.181 . . . . 0.0 110.276 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -131.6 111.32 11.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.567 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.14 143.88 51.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.01 0.91 . . . . 0.0 108.805 174.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.21 165.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 122.109 0.957 . . . . 0.0 111.296 -167.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 169.97 33.91 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -77.09 111.03 12.25 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.214 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 6.4 pt20 -117.24 125.71 27.98 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 85.4 Cg_exo -58.14 173.0 1.06 Allowed 'Trans proline' 0 C--N 1.326 -0.633 0 C-N-CA 121.412 1.408 . . . . 0.0 113.702 -174.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.53 -40.78 60.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.18 176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.98 -29.69 70.63 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.029 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 91' ' ' GLN . 72.8 mm-40 -74.45 -38.34 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.69 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.5 mm? -59.2 -46.34 88.69 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.073 172.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.34 -42.16 98.22 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.034 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.43 92.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.481 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.91 -51.51 64.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.438 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.93 -27.57 43.74 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.397 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.34 -31.42 67.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 118.856 -1.137 . . . . 0.0 111.731 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -65.71 -43.56 88.75 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.865 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.82 -26.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.55 -10.64 59.73 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.346 -178.355 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.0 p . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 121.924 0.869 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 25.7 ttt -115.84 121.06 41.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.186 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -87.4 118.57 26.93 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.202 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.43 175.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.673 1.225 . . . . 0.0 109.99 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -157.79 168.84 26.05 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -37.9 -47.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.68 -47.17 10.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.613 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -71.47 -25.93 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.5 -49.67 71.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.208 0.528 . . . . 0.0 111.994 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.02 -37.29 86.6 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.404 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -75.17 -28.6 60.14 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.977 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.94 67.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.334 0.588 . . . . 0.0 112.178 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -79.48 -28.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.496 -171.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -75.45 -13.87 60.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.44 -85.79 0.03 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.01 -175.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.33 -54.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.05 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -76.02 159.85 79.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.199 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.39 136.3 74.86 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 121.749 1.633 . . . . 0.0 112.709 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.18 109.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 21' ' ' LEU . 8.4 tt -84.32 115.1 22.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.705 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.08 123.33 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 119.207 -0.997 . . . . 0.0 108.45 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 3.1 m-20 -101.55 104.68 15.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.55 124.97 31.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -149.38 175.13 11.72 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.066 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.34 152.97 44.86 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.292 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.83 -24.77 65.32 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.589 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -88.59 -2.26 58.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.644 173.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.9 t -68.22 146.5 53.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.367 1.08 . . . . 0.0 111.906 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.511 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.29 -58.42 1.22 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.69 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.1 Cg_endo -71.47 -9.33 25.0 Favored 'Trans proline' 0 C--N 1.329 -0.488 0 CA-C-N 120.044 1.922 . . . . 0.0 114.103 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 m -70.84 -22.87 62.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.742 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.35 -31.67 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.487 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.26 -53.0 62.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -85.38 4.64 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.18 80.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 121.132 -0.98 . . . . 0.0 113.091 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.83 -15.78 13.17 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-N 121.802 1.679 . . . . 0.0 113.976 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -76.81 -33.21 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.442 -1.303 . . . . 0.0 110.31 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.89 -35.31 76.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.947 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.25 -41.32 97.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.967 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -69.4 -32.52 71.58 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.057 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 35.4 t80 -66.91 -43.13 84.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.678 0.751 . . . . 0.0 111.919 -177.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.76 -25.47 63.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.963 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -83.97 -15.65 47.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.727 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.45 -58.41 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.458 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 90.2 m-70 -83.68 -44.61 14.32 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.913 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.08 -95.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 170.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -80.22 -16.77 54.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.197 -1.001 . . . . 0.0 111.631 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.1 tppt? -72.98 -35.25 66.86 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.523 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 46' ' ' HIS . 16.4 m -108.61 165.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.516 1.15 . . . . 0.0 111.062 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 m -126.18 90.47 3.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 162.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.28 93.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 3' ' ' MET . . . -101.17 174.4 6.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.37 1.081 . . . . 0.0 111.563 -168.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -138.94 112.02 7.96 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.502 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 tp -111.18 135.11 52.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 171.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -83.93 120.38 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 118.636 -1.226 . . . . 0.0 108.327 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.13 -20.94 23.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.146 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.69 -39.54 24.16 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.052 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -80.56 -42.89 21.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.85 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.07 113.31 64.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.287 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -105.76 7.81 0.22 Allowed 'Trans proline' 0 C--N 1.327 -0.603 0 C-N-CA 120.473 0.782 . . . . 0.0 114.089 -167.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -89.96 -43.37 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.994 -1.082 . . . . 0.0 112.614 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.5 t -82.02 -25.38 34.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 111.689 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -65.56 -23.56 66.89 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.741 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -79.44 -35.74 39.98 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.437 175.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -55.56 18.05 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.766 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -83.44 -32.14 26.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.36 -0.936 . . . . 0.0 112.045 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.3 67.66 1.4 Allowed Glycine 0 N--CA 1.46 0.247 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -91.1 100.01 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.2 mtt -135.94 32.43 2.95 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.533 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.6 t -146.33 58.41 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.313 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.553 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -71.66 147.51 92.12 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.453 -177.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.0 129.79 19.8 Favored 'Cis proline' 0 C--N 1.325 -0.676 0 C-N-CA 123.151 -1.604 . . . . 0.0 111.18 1.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.433 ' HA ' HG22 ' A' ' 88' ' ' ILE . 28.9 m -110.49 121.41 45.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 23' ' ' ASP . 17.3 mt -110.11 124.19 51.08 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.884 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mt -130.49 122.25 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 119.581 -0.848 . . . . 0.0 108.857 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.4 tm? -93.32 120.49 33.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 96.4 m-85 -108.38 141.43 40.22 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.144 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -98.52 -66.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.88 49.57 0.9 Allowed Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.548 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.55 -32.82 6.57 Favored Glycine 0 N--CA 1.462 0.398 0 C-N-CA 119.587 -1.292 . . . . 0.0 112.122 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.41 127.23 71.71 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 63.6 Cg_endo -75.79 120.99 6.03 Favored 'Trans proline' 0 C--N 1.325 -0.691 0 C-N-CA 121.552 1.501 . . . . 0.0 110.42 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.8 t -78.21 -50.09 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.903 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.89 134.03 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.19 106.21 12.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.653 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.5 pt? -127.76 150.06 49.97 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.548 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.12 155.75 24.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.669 -168.015 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.68 179.42 29.4 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -69.57 138.38 53.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.369 1.081 . . . . 0.0 109.683 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.653 HE22 ' HG ' ' A' ' 87' ' ' LEU . 6.5 pt20 -152.77 122.04 3.3 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -54.47 167.47 1.36 Allowed 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.617 1.544 . . . . 0.0 114.656 -173.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -61.72 -38.66 88.72 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.088 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.296 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -73.69 -37.68 65.12 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.881 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.86 -48.36 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.12 169.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.55 -30.36 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.239 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.1 -51.57 52.68 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.905 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.99 -42.41 99.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.777 0.798 . . . . 0.0 111.564 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 103' ' ' VAL . 44.9 mt -87.4 -28.6 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.039 -0.665 . . . . 0.0 112.631 -170.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.39 64.65 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.468 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -47.43 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.839 -0.745 . . . . 0.0 111.535 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.8 m -83.11 -25.05 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.488 HD22 ' HG3' ' A' ' 49' ' ' LYS . 83.1 mt -78.94 -36.63 41.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.652 -174.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.799 -179.557 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p -78.81 159.93 27.62 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.604 -0.838 . . . . 0.0 109.238 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 ttt -82.62 159.82 22.62 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.796 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -130.0 108.53 10.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.33 168.77 11.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.517 1.151 . . . . 0.0 109.653 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.3 t -157.86 150.89 23.05 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 25.3 p-10 -24.91 -56.97 0.05 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.37 -50.67 15.19 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.628 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -70.84 -22.33 62.33 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.566 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CE2' HG11 ' A' ' 22' ' ' VAL . 15.9 t80 -53.19 -60.4 3.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 111.923 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -76.18 -35.31 59.2 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.896 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.39 -23.74 67.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.453 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -55.74 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.644 -0.66 . . . . 0.0 111.425 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.68 -36.01 63.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.972 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -71.08 -14.87 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.51 -97.59 0.02 OUTLIER Glycine 0 N--CA 1.461 0.337 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.962 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -172.38 84.67 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 170.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -154.13 121.85 2.95 Favored Pre-proline 0 C--N 1.322 -0.606 0 C-N-CA 118.608 -1.237 . . . . 0.0 111.488 -170.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.95 110.61 0.39 Allowed 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.892 1.728 . . . . 0.0 112.633 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -143.99 120.91 5.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.9 tt -91.28 109.71 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.805 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 10' ' ' PHE . 77.1 t -82.8 128.7 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.715 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.99 117.7 35.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -98.64 116.94 31.96 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -147.17 177.37 9.23 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.217 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.57 33.51 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.796 -1.162 . . . . 0.0 109.787 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.58 -11.39 59.86 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.568 -0.853 . . . . 0.0 112.01 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 19.1 p-90 -95.71 4.02 53.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.835 -0.541 . . . . 0.0 112.267 172.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' A' ' 72' ' ' ILE . 4.2 t -78.24 153.4 31.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.248 1.023 . . . . 0.0 111.648 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.91 -68.12 1.22 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.13 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -83.32 9.17 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 CA-C-N 119.218 1.509 . . . . 0.0 113.867 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 26.7 m -75.8 -20.96 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.959 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -63.28 -27.13 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.716 -0.794 . . . . 0.0 111.88 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.6 mtp -57.89 -58.38 8.66 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.728 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.429 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.3 ptm -86.35 6.55 29.47 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.42 -52.86 62.62 Favored Pre-proline 0 C--N 1.321 -0.662 0 O-C-N 121.136 -0.977 . . . . 0.0 113.011 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 83.3 Cg_endo -77.99 -20.21 11.78 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 CA-C-N 121.561 1.593 . . . . 0.0 113.579 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.95 -31.73 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 118.211 -1.396 . . . . 0.0 110.739 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.01 -40.83 87.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.66 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -72.71 -30.38 64.16 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.645 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.1 -19.28 60.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.289 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.8 t80 -69.4 -39.67 77.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.745 0.783 . . . . 0.0 110.856 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.97 -20.39 65.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.689 171.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.4 -24.65 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.502 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.11 -63.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.617 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 50' ' ' VAL . 45.6 m-70 -83.94 -56.13 3.86 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.293 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.96 -70.05 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 171.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -87.5 35.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.889 0.852 . . . . 0.0 110.4 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HG3' HD22 ' A' ' 104' ' ' LEU . 16.0 tppt? -153.64 -48.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.464 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.4 p -95.19 120.91 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.999 -177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.2 m -89.86 96.48 10.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.25 98.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.7 164.86 12.4 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.208 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -132.1 116.09 16.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.177 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 6' ' ' THR . 23.9 tp -111.01 129.87 55.77 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 118.982 -1.087 . . . . 0.0 108.123 171.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -84.42 110.98 19.05 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -74.57 -14.81 16.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.426 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 25.9 t0 -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.594 169.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.45 -40.34 73.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -114.59 105.95 52.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.51 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -105.69 10.86 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.578 0 N-CA-C 114.219 0.815 . . . . 0.0 114.219 -166.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -83.12 -42.17 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 120.873 -1.142 . . . . 0.0 111.873 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 t -81.86 -25.7 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.185 -1.006 . . . . 0.0 112.514 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 t -66.23 -26.65 67.47 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.224 -0.99 . . . . 0.0 111.48 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -78.0 -29.92 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.697 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -70.25 -52.24 24.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.946 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -77.84 -33.16 52.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.454 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.13 70.66 1.33 Allowed Glycine 0 CA--C 1.519 0.285 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.43 94.55 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.2 mtt -92.02 -18.06 24.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.626 -1.23 . . . . 0.0 112.705 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -145.75 100.84 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.275 -1.37 . . . . 0.0 110.898 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.3 pp -68.87 150.4 97.63 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.207 171.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.533 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 94.1 Cg_endo -81.55 156.97 81.76 Favored 'Cis proline' 0 C--N 1.323 -0.771 0 C-N-CA 123.324 -1.532 . . . . 0.0 111.833 2.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 88' ' ' ILE . 54.8 m -142.27 119.21 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.922 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.19 126.21 51.83 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.531 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mt -132.95 128.66 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.566 -0.853 . . . . 0.0 109.165 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 103' ' ' VAL . 2.8 tm? -95.71 127.05 41.42 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.433 ' N ' HD13 ' A' ' 77' ' ' LEU . 96.5 m-85 -116.14 132.13 56.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -107.56 -42.75 4.69 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.857 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.22 60.09 0.51 Allowed Glycine 0 N--CA 1.46 0.288 0 C-N-CA 119.16 -1.495 . . . . 0.0 110.986 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.7 40.9 85.24 Favored Glycine 0 N--CA 1.462 0.373 0 C-N-CA 119.775 -1.202 . . . . 0.0 112.004 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.84 120.73 1.04 Allowed Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.23 113.89 3.9 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.241 1.294 . . . . 0.0 109.929 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.88 -42.95 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.411 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.05 125.95 18.15 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.784 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -107.04 124.82 50.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -135.0 142.3 46.41 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.786 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.93 175.15 10.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.196 0.998 . . . . 0.0 110.717 -171.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.44 -159.64 35.35 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -91.85 128.77 37.81 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.319 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.429 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -133.4 122.47 17.03 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.94 163.98 5.27 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.259 1.306 . . . . 0.0 112.536 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -60.36 -29.39 68.89 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.193 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.85 -34.67 73.92 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.824 -0.548 . . . . 0.0 111.718 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -71.96 -44.17 64.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.007 0.908 . . . . 0.0 109.863 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -58.36 -49.24 77.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.023 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.59 -37.58 86.81 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.366 -0.834 . . . . 0.0 112.434 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.33 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.357 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.502 HE21 HD22 ' A' ' 87' ' ' LEU . 13.4 tp60 -58.25 -49.87 75.58 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.681 0.753 . . . . 0.0 111.293 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.9 mm? -77.34 -23.3 50.93 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.357 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.07 -36.85 73.4 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.23 -0.988 . . . . 0.0 112.283 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.91 -47.16 78.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.545 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.437 HG21 ' HG ' ' A' ' 77' ' ' LEU . 30.1 m -80.13 -29.1 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 49' ' ' LYS . 92.1 mt -72.43 -30.59 64.75 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.145 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.773 177.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 121.441 0.639 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 p -106.56 148.84 27.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.146 0.974 . . . . 0.0 110.101 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 tpt -87.9 165.47 15.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.839 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -132.95 117.67 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.601 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.5 176.07 5.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.736 1.255 . . . . 0.0 110.253 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -156.4 173.85 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -43.63 -44.75 6.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.63 -45.84 9.52 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.464 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -69.46 -25.38 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.687 -0.805 . . . . 0.0 111.439 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.86 -51.24 70.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.984 0.421 . . . . 0.0 111.81 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -67.3 -30.27 70.08 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.383 -0.927 . . . . 0.0 111.596 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -74.12 -31.94 62.98 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.351 -0.94 . . . . 0.0 111.492 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.16 -48.58 56.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.29 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.93 -27.89 20.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 119.709 -0.797 . . . . 0.0 112.391 -173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -74.43 -14.91 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -86.75 0.05 OUTLIER Glycine 0 N--CA 1.462 0.368 0 C-N-CA 119.774 -1.203 . . . . 0.0 112.985 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -162.57 -51.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.898 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -64.64 131.69 95.2 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.747 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.96 117.86 4.34 Favored 'Trans proline' 0 C--N 1.326 -0.632 0 C-N-CA 121.67 1.58 . . . . 0.0 112.167 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -107.27 117.94 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 100' ' ' LEU . 39.0 tp -87.07 109.9 19.73 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.455 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.5 t -86.75 132.09 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 118.987 -1.085 . . . . 0.0 109.653 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 75' ' ' LEU . 1.7 m-20 -100.37 106.09 17.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 171.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -83.99 121.52 27.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -147.21 177.21 9.37 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.415 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.35 156.8 46.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.458 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -28.74 64.12 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.323 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.596 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.2 t -66.75 143.8 56.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.207 1.003 . . . . 0.0 111.304 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -90.25 -59.11 1.49 Allowed Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.593 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 73.5 Cg_endo -76.4 -2.03 12.17 Favored 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 119.71 1.755 . . . . 0.0 113.841 -173.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.0 m -74.0 -24.98 59.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.235 174.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.08 -26.28 62.99 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.242 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.6 mtt -64.65 -41.66 95.97 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.313 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.8 ptp -80.57 -7.34 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.007 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.69 -57.28 13.88 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 112.968 177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 78.3 Cg_endo -67.76 -33.68 26.68 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.533 1.583 . . . . 0.0 112.613 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' A' ' 93' ' ' LYS . 42.6 t -56.8 -44.8 82.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.24 0.543 . . . . 0.0 111.122 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.38 -28.19 62.85 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.814 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -67.59 -40.98 84.77 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.574 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.34 -34.96 79.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 110.921 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 32.6 t80 -72.0 -42.22 66.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.721 0.772 . . . . 0.0 112.034 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -25.59 66.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.954 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.29 -17.6 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.612 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.08 -54.79 6.32 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.782 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 92.2 m-70 -89.5 -50.39 6.12 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.517 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.54 -83.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.42 37.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.18 0.991 . . . . 0.0 110.406 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -145.11 -42.13 0.23 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -174.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.53 164.78 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.536 1.16 . . . . 0.0 110.707 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -139.92 88.38 2.23 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 165.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 1.1 m -70.1 98.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.32 179.86 4.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.853 -172.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -141.71 108.63 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.482 -171.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -115.64 133.58 55.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -81.89 117.66 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.314 -0.954 . . . . 0.0 108.748 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.31 -14.65 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.81 -40.81 24.37 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.393 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.72 -47.97 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.507 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -98.84 118.44 62.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.773 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -101.27 -10.77 0.21 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 120.75 0.966 . . . . 0.0 114.314 -167.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -78.74 -45.22 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 118.707 -1.197 . . . . 0.0 112.407 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -79.81 -34.31 39.64 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.707 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -65.16 -27.83 68.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.695 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -77.88 -32.31 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.469 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.1 -49.53 60.65 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.288 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -85.57 -29.62 24.0 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.851 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.0 74.62 1.22 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.276 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.6 99.43 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -96.7 9.26 42.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.87 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.2 t -156.38 157.18 35.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.301 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.594 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -141.98 145.46 36.3 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -83.95 138.01 29.59 Favored 'Cis proline' 0 C--N 1.324 -0.718 0 C-N-CA 123.235 -1.569 . . . . 0.0 111.008 3.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -112.71 118.53 35.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.955 0.883 . . . . 0.0 109.373 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD11 ' OD2' ' A' ' 23' ' ' ASP . 4.4 mm? -96.39 126.03 41.31 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.247 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.19 125.08 32.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 tt -93.33 134.11 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.885 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 83.5 m-85 -115.82 131.98 56.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.134 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -91.92 -71.35 0.64 Allowed 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.806 -1.158 . . . . 0.0 109.668 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.23 53.12 0.71 Allowed Glycine 0 N--CA 1.462 0.41 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.3 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.8 45.49 7.2 Favored Glycine 0 N--CA 1.461 0.309 0 C-N-CA 119.687 -1.244 . . . . 0.0 111.073 -177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.68 118.1 1.33 Allowed Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 60.4 Cg_endo -72.88 120.03 6.41 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.345 1.363 . . . . 0.0 110.679 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.6 m -78.62 -45.27 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.434 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -148.35 161.82 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.149 0.976 . . . . 0.0 110.059 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -142.6 110.23 5.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.181 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -119.27 159.38 24.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.485 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -141.39 165.16 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 119.101 -1.04 . . . . 0.0 111.481 -167.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.32 171.23 42.76 Favored Glycine 0 N--CA 1.461 0.32 0 C-N-CA 120.033 -1.079 . . . . 0.0 110.539 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.88 119.36 14.9 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.664 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.457 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.1 pt20 -119.57 120.78 30.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.541 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.11 166.86 0.15 Allowed 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 122.096 1.864 . . . . 0.0 114.622 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HB2' HG13 ' A' ' 38' ' ' VAL . 34.4 ttpt -60.42 -36.11 77.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.562 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.54 -29.76 70.43 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.851 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.32 -38.55 60.19 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 111.044 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.4 mm? -56.63 -53.81 53.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.902 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.75 -44.21 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.462 -171.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.69 -47.23 86.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.921 0.867 . . . . 0.0 111.378 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.91 -48.95 78.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.066 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.7 mm? -72.56 -33.74 67.01 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.739 -0.785 . . . . 0.0 112.766 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.1 66.6 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.144 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.53 -43.03 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.883 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.2 m -85.12 -28.23 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 49' ' ' LYS . 90.7 mt -75.52 -12.98 60.34 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.911 -173.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.838 179.681 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 p -111.57 155.85 22.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.419 1.104 . . . . 0.0 111.203 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 tpt -88.72 162.15 16.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.577 173.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -132.53 116.47 16.77 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.148 175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -95.87 170.65 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.903 1.335 . . . . 0.0 110.216 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -152.25 168.46 25.32 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.86 -41.5 11.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.49 -41.87 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.303 -0.873 . . . . 0.0 112.396 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -66.82 -29.08 68.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.828 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.35 -45.17 80.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.147 0.499 . . . . 0.0 111.953 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.14 -34.65 78.07 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.844 -0.742 . . . . 0.0 112.026 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.51 -25.53 28.74 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.973 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.72 -46.59 71.77 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.72 -0.612 . . . . 0.0 112.515 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 pt -77.84 -26.11 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 119.795 -0.762 . . . . 0.0 112.606 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -70.98 -15.42 62.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.41 -88.08 0.02 OUTLIER Glycine 0 N--CA 1.46 0.243 0 C-N-CA 119.732 -1.223 . . . . 0.0 112.963 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -158.34 -65.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.651 -173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -80.16 167.33 34.12 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.381 -0.928 . . . . 0.0 111.944 -167.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -56.64 137.26 80.25 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.797 1.665 . . . . 0.0 113.061 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.31 109.69 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 22' ' ' VAL . 1.7 tt -87.21 115.97 24.97 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.395 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' N ' HD23 ' A' ' 21' ' ' LEU . 97.5 t -93.43 127.51 45.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.906 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.05 107.77 20.33 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -84.52 114.52 22.01 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -143.12 173.75 11.29 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.516 -172.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.0 154.72 50.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.35 1.071 . . . . 0.0 110.272 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.3 61.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.756 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -89.03 0.88 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.568 -0.707 . . . . 0.0 112.474 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.0 t -72.64 153.2 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.342 1.068 . . . . 0.0 112.23 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.23 -60.0 1.14 Allowed Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.545 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.5 Cg_endo -73.13 -4.54 15.6 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 CA-C-N 119.739 1.769 . . . . 0.0 114.013 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 m -76.86 -21.91 54.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.335 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 33' ' ' ARG . 3.9 mpt_? -65.53 -31.0 71.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.483 -0.761 . . . . 0.0 111.622 173.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 82.5 mtp -67.41 -45.92 74.72 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.576 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ptp -82.18 -3.41 54.91 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.822 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -45.24 -50.46 28.58 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 96.4 Cg_endo -76.06 -36.09 2.12 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-N 121.472 1.562 . . . . 0.0 113.451 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -64.76 -34.88 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.777 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.1 -40.09 82.68 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.745 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -64.79 -37.22 86.89 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.426 -0.909 . . . . 0.0 110.714 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.929 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 23.6 t80 -72.65 -43.3 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.807 0.813 . . . . 0.0 111.365 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.19 64.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.954 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -88.78 -12.34 42.37 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.19 -1.004 . . . . 0.0 111.782 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.12 -54.49 5.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.984 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 94.4 m-70 -88.06 -48.65 7.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.739 -177.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.63 -92.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 170.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.06 -4.63 48.21 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.421 -0.912 . . . . 0.0 111.673 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.0 tppt? -92.19 -35.09 14.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.724 -0.61 . . . . 0.0 110.449 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.9 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.464 1.126 . . . . 0.0 110.94 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.5 m -130.67 90.1 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 163.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -78.75 99.39 3.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.4 179.67 4.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.033 0.92 . . . . 0.0 111.593 -169.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -142.26 109.29 5.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.7 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.39 133.41 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -85.03 115.06 22.63 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.761 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.07 -26.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 119.688 -0.805 . . . . 0.0 111.616 176.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.36 -48.92 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.83 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -79.01 -32.23 45.03 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -118.37 95.84 49.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.267 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -100.67 9.82 0.58 Allowed 'Trans proline' 0 C--N 1.328 -0.55 0 C-N-CA 120.772 0.981 . . . . 0.0 114.377 -168.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -88.05 -48.79 7.48 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.943 -173.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -79.59 -26.64 41.22 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.177 -1.009 . . . . 0.0 111.776 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.5 -24.64 64.69 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.477 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -83.68 -26.88 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.212 171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.95 -49.84 73.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.114 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -85.12 -31.53 23.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.564 -0.854 . . . . 0.0 111.585 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.48 77.02 1.24 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 74' ' ' THR . 35.4 mm -88.25 105.32 15.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.6 mtt -100.61 -3.91 29.52 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.753 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -159.79 104.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.755 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.47 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -85.46 150.55 54.41 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.577 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -80.54 141.58 56.33 Favored 'Cis proline' 0 C--N 1.326 -0.655 0 C-N-CA 123.114 -1.619 . . . . 0.0 111.533 4.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.504 HG21 HD12 ' A' ' 69' ' ' ILE . 3.2 m -118.34 118.05 30.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.173 0.987 . . . . 0.0 109.126 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.47 120.84 36.42 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.1 mt -130.51 126.19 60.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 119.456 -0.898 . . . . 0.0 108.849 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.3 tm? -96.16 121.5 38.0 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.281 -178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.2 151.76 24.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.043 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -119.8 -61.48 1.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.688 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.78 53.75 0.7 Allowed Glycine 0 N--CA 1.462 0.394 0 C-N-CA 119.414 -1.374 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.59 32.22 11.9 Favored Glycine 0 N--CA 1.461 0.357 0 C-N-CA 119.836 -1.173 . . . . 0.0 111.811 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.47 118.21 1.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.72 113.5 3.67 Favored 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.292 1.328 . . . . 0.0 109.323 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.29 -45.97 67.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.427 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -143.26 145.3 32.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.206 1.003 . . . . 0.0 109.685 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -124.85 111.05 15.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.134 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -121.81 148.09 45.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.365 1.078 . . . . 0.0 108.563 169.338 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.95 161.8 35.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.616 -167.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.35 -173.11 35.41 Favored Glycine 0 N--CA 1.46 0.248 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.182 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -81.22 126.72 31.87 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.052 -1.059 . . . . 0.0 109.465 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.44 HE22 HD13 ' A' ' 87' ' ' LEU . 7.1 pt20 -141.94 122.49 8.44 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.97 171.48 1.6 Allowed 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 121.351 1.368 . . . . 0.0 114.117 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.72 -42.09 56.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -64.86 -30.12 71.1 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.994 -0.683 . . . . 0.0 111.458 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -73.37 -41.54 63.27 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.681 -0.807 . . . . 0.0 110.539 173.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -57.48 -56.14 25.7 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.387 172.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -57.53 -44.93 85.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.986 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -50.3 73.86 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.185 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -56.2 -53.23 59.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.072 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.2 -30.42 60.62 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.623 -0.831 . . . . 0.0 112.616 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.7 62.13 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.153 -0.967 . . . . 0.0 112.33 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -67.53 -46.86 71.57 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.727 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.442 HG21 ' HG ' ' A' ' 77' ' ' LEU . 21.7 m -83.04 -24.99 8.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD22 ' HG3' ' A' ' 49' ' ' LYS . 87.0 mt -77.95 -29.81 50.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.711 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.708 177.328 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.984 0.897 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 p -87.02 151.71 23.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.113 0.958 . . . . 0.0 111.174 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 159.9 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.032 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -134.97 111.78 10.09 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.189 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.962 1.363 . . . . 0.0 110.584 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' ASP . 6.8 t -156.48 157.32 35.26 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.8 p-10 -25.93 -54.42 0.06 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -171.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.84 -49.74 10.01 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.613 -0.679 . . . . 0.0 112.606 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -66.74 -32.52 73.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.606 0.717 . . . . 0.0 110.789 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -48.36 -48.71 36.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.053 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.86 -50.07 65.89 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.959 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -57.68 -35.9 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.984 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.47 93.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 pt -83.38 -24.23 8.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.631 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -71.24 -16.23 62.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -90.9 0.02 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.498 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.88 -60.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.026 -1.07 . . . . 0.0 111.133 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' CD ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -72.5 146.53 88.92 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.222 -172.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HB3' HD21 ' A' ' 77' ' ' LEU . 25.9 Cg_exo -53.2 148.82 30.45 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.996 1.797 . . . . 0.0 115.575 -175.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -144.77 116.92 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 tp -78.93 130.0 35.12 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.218 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 94.9 t -106.7 141.68 21.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.494 -0.883 . . . . 0.0 108.626 175.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 115.29 24.54 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 69.4 m-85 -99.27 112.44 24.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.05 173.94 13.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.477 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.08 158.13 44.34 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.957 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.53 -33.85 35.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.509 -0.876 . . . . 0.0 111.479 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -74.45 1.36 12.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.462 -0.773 . . . . 0.0 112.629 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 72' ' ' ILE . 7.7 t -66.09 155.7 36.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.705 1.24 . . . . 0.0 112.975 -171.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -95.81 -61.98 0.99 Allowed Glycine 0 CA--C 1.521 0.445 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.29 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 74.4 Cg_endo -73.87 -12.57 24.07 Favored 'Trans proline' 0 C--N 1.328 -0.552 0 CA-C-N 119.533 1.667 . . . . 0.0 113.808 -175.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 m -73.45 -6.55 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.974 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -63.04 -33.39 75.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.622 -0.674 . . . . 0.0 112.166 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 44.8 mtt -68.89 -48.35 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.178 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.4 ptp -78.52 -0.99 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.55 -59.02 8.11 Favored Pre-proline 0 C--N 1.322 -0.613 0 O-C-N 121.341 -0.849 . . . . 0.0 113.288 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.17 -22.45 34.76 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 CA-C-N 121.607 1.61 . . . . 0.0 113.149 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.37 -49.66 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.357 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -68.23 -43.42 78.0 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.635 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.05 -32.95 72.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.584 173.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 8.3 t80 -74.92 -45.2 44.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -169.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.32 -29.63 69.87 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.68 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.84 -5.51 58.57 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.074 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.41 -56.45 4.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' HB2' HG12 ' A' ' 50' ' ' VAL . 91.3 m-70 -81.16 -54.21 5.72 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.91 -88.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 169.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.11 43.04 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 122.252 1.025 . . . . 0.0 110.468 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -153.49 -56.88 0.12 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.9 p -95.51 155.24 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.617 0.722 . . . . 0.0 109.654 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -117.15 96.62 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.55 96.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.48 168.48 10.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.804 0.811 . . . . 0.0 110.148 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.13 117.2 19.59 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.551 -170.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.34 116.58 23.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -78.21 122.57 25.84 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.459 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -70.2 -15.46 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.598 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -82.09 -50.73 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.525 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -76.43 -37.92 56.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.799 -0.761 . . . . 0.0 111.724 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -113.55 94.51 32.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.115 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -89.57 2.04 5.61 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 121.234 1.289 . . . . 0.0 113.691 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.37 -44.29 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.315 -0.954 . . . . 0.0 112.285 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 t -80.08 -31.93 39.28 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.09 -1.044 . . . . 0.0 111.598 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -69.91 -30.66 68.14 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.599 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.0 m -80.03 -30.34 39.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.216 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.28 -43.8 90.05 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.509 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -76.21 -36.38 58.64 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.004 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.93 64.63 0.95 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.6 mm -85.07 95.15 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mtm -89.2 -24.56 22.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.464 -0.894 . . . . 0.0 111.859 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.8 t -132.2 91.17 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.962 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.1 pp -73.57 146.42 86.01 Favored Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.643 172.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 83.6 Cg_endo -81.5 148.5 72.43 Favored 'Cis proline' 0 C--N 1.324 -0.748 0 C-N-CA 123.082 -1.633 . . . . 0.0 111.181 2.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.409 HG23 HG22 ' A' ' 88' ' ' ILE . 3.4 m -132.84 124.66 28.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.8 mt -113.98 138.58 50.16 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.63 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.8 mt -145.7 124.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 19' ' ' PRO . 9.0 tt -97.05 137.78 35.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 118.61 -1.236 . . . . 0.0 109.604 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -116.21 156.37 26.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.685 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -110.49 -75.05 0.63 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.118 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.18 51.62 0.76 Allowed Glycine 0 N--CA 1.462 0.385 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.162 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.31 25.45 36.56 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.767 -1.206 . . . . 0.0 112.465 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 3.3 tmt_? -146.45 123.76 5.98 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.07 128.14 15.33 Favored 'Trans proline' 0 C--N 1.322 -0.816 0 C-N-CA 121.389 1.393 . . . . 0.0 111.17 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.2 t -71.76 -56.54 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.557 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -141.83 142.94 33.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.057 0.932 . . . . 0.0 108.698 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -120.47 112.97 19.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.669 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.5 pt? -114.93 152.36 32.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 169.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.66 169.73 20.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 122.415 1.102 . . . . 0.0 111.582 -166.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.74 -162.23 52.9 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.874 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -81.27 133.93 35.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.434 1.111 . . . . 0.0 108.573 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.99 108.22 15.24 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -48.81 158.03 1.36 Allowed 'Trans proline' 0 C--N 1.325 -0.661 0 C-N-CA 121.761 1.641 . . . . 0.0 112.797 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.43 -21.71 51.88 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.929 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.75 -46.28 72.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.727 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -65.48 -45.26 84.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.66 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.8 mt -57.41 -51.03 71.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.18 -39.42 92.64 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.85 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.1 66.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.883 0.849 . . . . 0.0 111.366 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -64.82 -50.93 64.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.37 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.75 -29.84 56.31 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.226 -0.99 . . . . 0.0 112.148 -173.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.77 -28.11 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.201 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.38 -42.12 83.89 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.578 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.66 -25.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.5 mt -81.7 -32.06 31.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.704 -0.798 . . . . 0.0 113.05 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.066 -177.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 121.739 0.78 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 HG23 ' A' ' 52' ' ' VAL . 68.5 p -90.59 160.68 15.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.851 0.834 . . . . 0.0 110.272 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.3 tpt -92.94 165.75 12.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -140.37 119.07 12.39 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.09 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.88 -179.87 4.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.656 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -161.46 156.83 24.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -35.94 -43.3 0.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.88 -55.64 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.739 -0.601 . . . . 0.0 112.19 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -69.21 -22.91 63.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.447 0.641 . . . . 0.0 111.634 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.05 -51.82 62.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.352 0.596 . . . . 0.0 111.755 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -67.96 -29.03 67.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -76.24 -26.64 56.22 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.245 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.36 -52.95 12.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.75 -0.594 . . . . 0.0 111.528 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 pt -74.97 -33.44 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.931 -172.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -73.79 -20.42 60.48 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.92 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.5 -81.47 0.06 OUTLIER Glycine 0 N--CA 1.461 0.338 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.641 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -164.6 -46.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 118.702 -1.199 . . . . 0.0 113.055 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.03 164.05 19.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 C-N-CA 119.164 -1.014 . . . . 0.0 112.804 -165.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.93 145.05 98.53 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 122.124 1.882 . . . . 0.0 113.463 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -149.99 118.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.0 tp -82.48 128.19 34.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.907 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.8 t -104.07 123.8 58.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -100.15 106.38 18.08 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -83.51 118.96 24.12 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -151.6 178.99 8.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.263 -0.975 . . . . 0.0 109.921 -169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.06 155.31 43.27 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.051 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.87 63.65 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.41 -0.916 . . . . 0.0 111.664 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 p-90 -77.84 -2.73 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -63.02 150.26 42.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.262 1.03 . . . . 0.0 111.859 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.08 -66.05 1.32 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.461 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 -9.8 26.25 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 CA-C-N 119.186 1.493 . . . . 0.0 113.948 -175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 m -69.07 -24.48 64.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.108 -0.995 . . . . 0.0 111.092 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.02 -27.36 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.559 -0.713 . . . . 0.0 111.946 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.8 mtp -68.91 -27.49 65.82 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.005 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.7 mtp -77.66 -10.24 59.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.13 -52.31 35.35 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.383 -0.823 . . . . 0.0 112.998 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.44 3.61 6.65 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 CA-C-N 121.498 1.571 . . . . 0.0 114.794 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.03 -44.8 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.918 -1.114 . . . . 0.0 110.599 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -65.79 -36.12 82.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -61.0 -42.12 97.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.481 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -73.83 -23.86 59.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.762 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 21.7 t80 -76.7 -46.51 25.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.615 0.722 . . . . 0.0 111.789 -176.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -66.34 -28.96 69.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.97 -11.83 54.63 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.381 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.936 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' HB2' HG12 ' A' ' 50' ' ' VAL . 90.7 m-70 -81.58 -63.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.86 -74.72 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -84.65 24.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.742 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -142.0 -46.62 0.35 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.024 -0.671 . . . . 0.0 109.695 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG12 ' HB2' ' A' ' 46' ' ' HIS . 6.0 p -95.93 148.33 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.934 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -115.08 82.51 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 166.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG23 HG22 ' A' ' 2' ' ' THR . 3.8 m -72.77 95.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.41 174.12 6.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.45 -170.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -137.32 104.75 5.48 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.585 -171.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 tt -108.19 129.05 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -83.16 120.1 25.36 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.448 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.67 -20.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.298 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.39 -35.86 71.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.226 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.64 -48.39 8.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.796 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -107.15 116.74 57.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.86 -168.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -100.49 -6.19 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.032 1.155 . . . . 0.0 114.21 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.51 -39.52 18.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.216 -0.994 . . . . 0.0 112.876 -169.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -76.01 -32.51 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.988 -1.085 . . . . 0.0 111.931 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 t -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.477 -0.889 . . . . 0.0 111.946 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -78.88 -35.57 43.48 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.209 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -61.76 -42.15 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.902 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 78' ' ' PHE . 24.3 m-85 -93.55 -39.34 10.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.42 -0.912 . . . . 0.0 111.678 -174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.91 78.59 1.42 Allowed Glycine 0 N--CA 1.461 0.317 0 C-N-CA 119.57 -1.3 . . . . 0.0 110.211 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.32 119.28 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.9 mtt -91.77 -34.49 14.58 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.571 -0.852 . . . . 0.0 112.394 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -159.08 117.94 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.048 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.433 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.7 pp -76.52 151.22 82.85 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.494 174.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.34 144.84 69.56 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 C-N-CA 123.254 -1.561 . . . . 0.0 111.002 1.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.6 m -130.8 117.14 18.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.95 127.52 53.51 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.561 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.53 136.09 46.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 119.567 -0.853 . . . . 0.0 109.247 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -103.01 132.92 48.92 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 119.591 -0.844 . . . . 0.0 108.987 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 97.5 m-85 -115.88 143.5 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.698 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -100.31 -76.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.976 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.4 54.08 0.65 Allowed Glycine 0 N--CA 1.461 0.345 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.522 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.12 41.99 16.64 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.712 -1.232 . . . . 0.0 111.291 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -155.73 115.53 2.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 56.1 Cg_endo -73.39 119.7 6.12 Favored 'Trans proline' 0 C--N 1.323 -0.8 0 C-N-CA 121.273 1.315 . . . . 0.0 110.431 -172.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.45 -50.11 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.089 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -151.01 155.42 39.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.087 0.946 . . . . 0.0 109.726 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -137.96 126.93 24.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.83 0.824 . . . . 0.0 108.935 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 137.66 38.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -135.91 173.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.637 -164.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.2 -165.55 29.09 Favored Glycine 0 N--CA 1.462 0.389 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.45 106.56 18.05 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 118.729 -1.188 . . . . 0.0 107.972 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.66 114.5 58.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.7 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.49 172.27 0.24 Allowed 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.885 1.723 . . . . 0.0 114.473 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -54.67 -35.69 63.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.83 170.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.29 -36.76 77.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.167 0.508 . . . . 0.0 111.505 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -73.41 -44.46 58.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.66 0.743 . . . . 0.0 110.503 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 10.9 mt -55.26 -57.67 10.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.506 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -57.51 -37.4 72.93 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -48.23 76.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.056 0.931 . . . . 0.0 110.893 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.19 -48.38 80.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.621 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -74.69 -28.05 60.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.284 -0.966 . . . . 0.0 112.864 -172.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.27 71.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.206 -0.998 . . . . 0.0 112.434 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.656 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.56 -21.91 10.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -175.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.1 mt -80.11 -36.22 35.65 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.299 -0.96 . . . . 0.0 112.912 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.242 -179.282 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 121.263 0.554 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -144.59 155.12 43.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.417 1.103 . . . . 0.0 111.163 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.3 tpt -102.69 168.49 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.423 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 m -135.95 122.66 21.05 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.888 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.55 171.76 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.809 1.29 . . . . 0.0 110.436 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.7 t -151.76 160.02 43.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' THR . 8.3 p-10 -37.34 -43.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -169.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.98 -51.43 7.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.385 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -65.73 -31.42 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.028 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.11 -48.01 44.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -63.13 -40.04 96.44 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.425 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -75.08 -30.26 60.9 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.844 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.74 81.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.378 0.609 . . . . 0.0 112.278 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.55 -26.22 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.041 -0.664 . . . . 0.0 112.58 -173.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.67 -15.14 62.69 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -85.28 0.02 OUTLIER Glycine 0 N--CA 1.462 0.415 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.971 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -167.55 -67.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.157 -1.017 . . . . 0.0 110.257 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 143.79 86.93 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.657 -173.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -42.43 127.36 4.29 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 122.181 1.921 . . . . 0.0 114.596 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.1 t -117.76 118.42 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 21' ' ' LEU . 10.5 tt -90.71 131.37 36.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.829 -1.149 . . . . 0.0 109.156 177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.9 130.83 61.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.433 171.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.46 107.59 18.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -82.06 126.44 32.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -144.26 170.58 15.72 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.679 -0.808 . . . . 0.0 108.936 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.47 153.25 51.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.765 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.44 65.56 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.398 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -81.53 -12.14 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.647 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 72' ' ' ILE . 5.4 t -69.05 140.12 54.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.287 1.041 . . . . 0.0 111.463 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.95 -58.71 1.86 Allowed Glycine 0 CA--C 1.521 0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.848 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 74.1 Cg_endo -74.92 -1.26 10.96 Favored 'Trans proline' 0 C--N 1.326 -0.615 0 CA-C-N 119.877 1.839 . . . . 0.0 113.931 -173.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.5 m -73.56 -27.15 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.294 -0.962 . . . . 0.0 111.187 172.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.8 -27.13 64.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.237 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.7 mtp -63.24 -47.79 80.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.112 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.466 ' HA ' HG12 ' A' ' 38' ' ' VAL . 8.6 ptm -86.76 1.49 52.03 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.414 -0.914 . . . . 0.0 112.973 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -51.24 -52.28 60.49 Favored Pre-proline 0 C--N 1.322 -0.593 0 O-C-N 120.874 -1.141 . . . . 0.0 113.084 173.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 94.9 Cg_endo -78.3 -23.75 8.52 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 CA-C-N 121.434 1.548 . . . . 0.0 113.523 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 35' ' ' MET . 3.9 p -74.78 -25.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 119.151 -1.019 . . . . 0.0 110.761 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.85 -30.71 62.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.052 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.96 -40.74 98.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.467 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.19 -31.0 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.564 0.697 . . . . 0.0 111.513 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.3 t80 -69.18 -39.86 78.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.623 0.725 . . . . 0.0 111.733 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.54 -25.98 66.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.439 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.55 -27.51 55.94 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.335 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.06 -53.5 14.46 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.124 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.4 m-70 -88.66 -49.25 6.98 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.789 -176.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.99 -85.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.92 36.07 0.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.903 -0.719 . . . . 0.0 111.133 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -148.05 -35.67 0.21 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.501 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.6 p -122.64 141.36 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.277 -176.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -104.23 114.7 29.12 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.45 95.94 5.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.67 171.75 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.019 0.914 . . . . 0.0 111.782 -170.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 117.45 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.617 -173.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -114.69 123.24 48.78 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -87.18 113.37 22.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.102 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -74.65 -16.94 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.3 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.73 -42.36 64.2 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.456 -0.898 . . . . 0.0 110.025 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -75.15 -45.6 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.501 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -103.68 113.72 65.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.922 -170.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -95.28 -15.46 0.53 Allowed 'Trans proline' 0 C--N 1.326 -0.652 0 C-N-CA 121.082 1.188 . . . . 0.0 113.503 -170.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -88.75 -35.83 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.127 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.5 m -64.4 -39.32 93.62 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.54 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -69.14 -26.21 64.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.979 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.9 t -80.71 -32.86 35.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.85 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -62.61 -47.84 82.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.257 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.08 -29.27 16.64 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.765 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.07 80.37 1.21 Allowed Glycine 0 N--CA 1.461 0.312 0 C-N-CA 119.403 -1.38 . . . . 0.0 110.098 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.2 mm -91.0 101.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.9 mtt -79.97 -33.36 39.55 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.505 -0.878 . . . . 0.0 112.211 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -153.14 111.59 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.112 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.666 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -78.94 150.66 75.4 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.789 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.44 139.11 42.71 Favored 'Cis proline' 0 C--N 1.326 -0.638 0 C-N-CA 123.22 -1.575 . . . . 0.0 111.294 4.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -117.6 123.85 47.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.855 0.836 . . . . 0.0 109.412 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.3 122.81 42.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.67 125.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.458 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -95.47 127.5 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CE2' ' HG3' ' A' ' 83' ' ' PRO . 52.9 m-85 -109.59 149.82 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.82 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -141.74 106.97 4.98 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.43 68.28 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 119.783 -1.199 . . . . 0.0 111.945 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.68 52.39 20.69 Favored Glycine 0 N--CA 1.46 0.276 0 C-N-CA 119.909 -1.139 . . . . 0.0 111.047 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -156.46 105.69 2.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -175.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 78' ' ' PHE . 71.8 Cg_exo -63.62 120.14 7.44 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.494 1.462 . . . . 0.0 112.223 -176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.36 -43.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 118.88 -1.128 . . . . 0.0 110.591 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -142.66 157.0 45.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.007 0.908 . . . . 0.0 109.562 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -137.7 102.79 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.451 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.729 ' HB2' HE22 ' A' ' 91' ' ' GLN . 3.3 mp -94.73 163.94 13.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.062 172.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.475 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -147.83 138.02 16.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 109.36 -176.185 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.17 178.78 30.24 Favored Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.869 -1.158 . . . . 0.0 111.319 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -73.35 130.66 40.65 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.037 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.729 HE22 ' HB2' ' A' ' 87' ' ' LEU . 10.9 pt20 -133.11 121.27 16.65 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -54.45 168.25 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.678 0 C-N-CA 121.921 1.747 . . . . 0.0 113.799 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 32.9 ttpt -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.633 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -69.26 -42.03 76.13 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.993 -0.683 . . . . 0.0 111.228 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.818 0.818 . . . . 0.0 110.67 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 mt -63.83 -51.21 65.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.743 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.32 -46.01 85.38 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.023 -1.048 . . . . 0.0 112.34 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -46.12 86.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.97 0.89 . . . . 0.0 111.346 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.483 HE21 HD21 ' A' ' 87' ' ' LEU . 3.9 tp-100 -64.26 -54.52 32.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.279 -177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -26.84 62.72 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.151 -1.02 . . . . 0.0 112.17 -173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.09 65.85 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.08 -1.048 . . . . 0.0 111.946 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.82 -42.23 95.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.744 -0.782 . . . . 0.0 111.975 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.55 -27.31 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.609 -0.836 . . . . 0.0 113.152 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.45 -18.1 61.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.811 -178.046 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 121.343 0.592 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 HG22 HG23 ' A' ' 52' ' ' VAL . 40.3 p -90.17 155.84 18.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.098 0.951 . . . . 0.0 111.045 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -85.17 170.9 12.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m -134.37 110.07 9.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.013 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.05 178.46 5.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.494 1.14 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -156.48 169.8 23.79 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -39.33 -50.7 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.69 -37.97 13.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.501 -0.879 . . . . 0.0 112.478 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -70.4 -33.35 71.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.77 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -54.52 -54.11 45.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.015 0.436 . . . . 0.0 111.83 176.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.04 -35.67 81.0 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.304 -0.959 . . . . 0.0 111.569 -175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -74.65 -30.94 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.823 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.09 90.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.463 0.649 . . . . 0.0 112.108 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.6 pt -76.48 -28.52 17.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.852 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -68.66 -11.11 59.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.9 -81.87 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.872 -1.156 . . . . 0.0 112.071 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -165.14 -50.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.854 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -98.6 172.37 4.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.152 -1.019 . . . . 0.0 112.587 -166.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 79.3 Cg_exo -59.85 140.13 91.62 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 C-N-CA 121.948 1.766 . . . . 0.0 114.158 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -144.76 112.55 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 52' ' ' VAL . 30.7 tp -83.04 125.7 31.73 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 118.501 -1.28 . . . . 0.0 108.914 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 10' ' ' PHE . 89.6 t -103.57 127.7 57.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 C-N-CA 119.234 -0.986 . . . . 0.0 108.406 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' HD13 ' A' ' 75' ' ' LEU . 8.1 m-20 -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 31.3 m-85 -89.8 126.8 35.82 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -155.0 177.82 10.89 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.848 -171.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.59 154.9 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.889 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.03 -33.73 70.6 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.259 -0.976 . . . . 0.0 111.411 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -74.5 -10.78 59.89 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.967 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.8 t -66.43 138.58 57.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.115 0.959 . . . . 0.0 111.487 -175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.3 -57.35 1.78 Allowed Glycine 0 CA--C 1.521 0.442 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.145 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.9 Cg_endo -74.97 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 120.169 1.985 . . . . 0.0 113.591 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 m -66.04 -20.53 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.253 -0.979 . . . . 0.0 111.164 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -71.29 -24.94 62.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.694 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.2 mtt -60.49 -52.35 65.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.898 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ptp -79.03 -2.0 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.59 -0.844 . . . . 0.0 113.086 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.52 -59.42 9.51 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 120.963 -1.086 . . . . 0.0 112.454 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -69.42 -22.07 34.17 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 121.568 1.596 . . . . 0.0 113.093 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 93' ' ' LYS . 46.3 t -64.29 -44.46 97.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.739 172.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.42 -30.84 60.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.637 -0.425 . . . . 0.0 112.133 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -64.25 -45.5 87.89 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.362 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.48 -36.39 80.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.543 0.687 . . . . 0.0 111.092 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 17.2 t80 -69.39 -39.35 78.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.708 0.766 . . . . 0.0 112.331 -175.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.58 -29.55 69.64 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.699 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.5 -5.44 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.628 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.09 -53.21 8.66 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.129 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -92.24 -48.77 6.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 68.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 167.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -79.03 32.67 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.626 0.727 . . . . 0.0 111.275 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.5 tppt? -154.16 -45.18 0.09 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.851 -0.74 . . . . 0.0 109.85 -171.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.67 145.47 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.268 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -125.19 89.05 2.98 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 170.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 43' ' ' ALA . 5.2 m -80.58 100.13 4.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 119.205 -0.998 . . . . 0.0 108.463 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.76 -175.86 3.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.595 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -137.79 111.8 8.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.051 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -106.35 123.28 47.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -78.68 109.62 13.06 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.069 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.95 -18.0 12.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.439 -0.904 . . . . 0.0 112.456 -172.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.3 -36.16 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.292 174.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.92 -47.58 18.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.361 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -96.3 117.36 66.22 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.2 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -102.64 6.89 0.43 Allowed 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 120.896 1.064 . . . . 0.0 113.906 -169.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -92.29 -39.66 11.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.869 -173.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 t -78.31 -28.03 47.35 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.069 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.0 t -62.92 -31.02 72.01 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.734 -0.787 . . . . 0.0 112.094 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -80.09 -29.16 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.593 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.4 -47.0 68.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.29 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.84 -21.06 16.52 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.347 -0.941 . . . . 0.0 112.641 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.69 88.58 0.56 Allowed Glycine 0 N--CA 1.461 0.348 0 C-N-CA 119.368 -1.396 . . . . 0.0 110.32 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mm -107.28 100.11 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.0 mtt -109.61 10.12 25.02 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.535 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.6 t -163.64 119.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.715 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.555 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.4 pp -100.64 150.81 37.31 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 119.771 -0.771 . . . . 0.0 109.563 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.72 141.4 29.47 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 122.918 -1.701 . . . . 0.0 111.877 5.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 88' ' ' ILE . 2.3 m -111.97 123.1 49.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.838 0.828 . . . . 0.0 108.887 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD12 HD21 ' A' ' 21' ' ' LEU . 3.9 mm? -105.26 127.51 52.98 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.5 mt -136.67 127.04 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.2 tm? -97.54 129.33 44.7 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.646 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 19' ' ' PRO . 91.8 m-85 -114.48 159.46 20.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.065 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -130.47 -72.92 0.56 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.654 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.64 57.48 0.43 Allowed Glycine 0 N--CA 1.462 0.387 0 C-N-CA 119.428 -1.368 . . . . 0.0 111.026 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.76 41.35 83.51 Favored Glycine 0 N--CA 1.462 0.367 0 C-N-CA 119.691 -1.242 . . . . 0.0 111.991 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.6 122.73 1.45 Allowed Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.03 123.86 8.18 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.217 1.278 . . . . 0.0 110.052 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.33 -39.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.865 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -145.41 151.01 37.57 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.353 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -130.24 113.53 14.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.894 0.854 . . . . 0.0 109.418 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -129.99 150.13 51.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.113 0.958 . . . . 0.0 108.609 171.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.65 168.39 18.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 122.12 0.962 . . . . 0.0 110.778 -167.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.69 177.12 51.81 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.795 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.78 124.22 24.92 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.094 -1.043 . . . . 0.0 109.203 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.595 HE22 HD13 ' A' ' 87' ' ' LEU . 5.3 pt20 -128.04 127.51 23.84 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -47.74 164.2 0.17 Allowed 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 122.086 1.857 . . . . 0.0 114.918 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HB2' HG13 ' A' ' 38' ' ' VAL . 31.4 ttpt -63.57 -29.24 70.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.517 174.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -68.39 -38.22 81.13 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.904 -0.719 . . . . 0.0 111.027 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -64.58 -43.3 94.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.114 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.1 mt -62.03 -49.02 77.67 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.661 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.1 -38.87 92.91 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.297 -0.961 . . . . 0.0 112.16 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.18 80.21 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.579 -0.849 . . . . 0.0 111.048 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -58.57 -52.42 65.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 100' ' ' LEU . 3.6 mm? -73.88 -35.32 64.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.376 -0.93 . . . . 0.0 112.473 -173.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.72 -27.46 67.93 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 120.73 -1.231 . . . . 0.0 112.598 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.82 -45.29 75.12 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.272 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.471 HG21 ' HG ' ' A' ' 77' ' ' LEU . 29.4 m -83.82 -24.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 49' ' ' LYS . 95.9 mt -75.43 -40.4 57.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.823 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.239 179.113 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.369 0.604 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p -124.93 152.35 44.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.211 1.005 . . . . 0.0 110.376 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -87.61 163.63 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.056 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.7 m -132.98 118.95 19.46 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.379 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.31 172.64 6.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.815 1.293 . . . . 0.0 110.178 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.6 t -154.12 158.2 40.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.3 p-10 -34.91 -45.87 0.28 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.56 -53.95 6.36 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.439 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -67.93 -28.55 67.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -51.26 -51.33 55.11 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -67.62 -34.86 77.85 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.202 -176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.599 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.23 71.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.323 0.582 . . . . 0.0 112.159 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.2 pt -76.83 -28.29 17.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.888 -0.725 . . . . 0.0 112.274 -173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.99 -14.3 61.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.56 -87.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.898 -175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.16 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.137 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.28 142.09 97.64 Favored Pre-proline 0 C--N 1.324 -0.539 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.921 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -41.4 125.66 2.7 Favored 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 122.07 1.847 . . . . 0.0 114.151 168.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.9 t -122.94 115.97 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 21' ' ' LEU . 8.2 tt -86.48 112.2 21.29 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.3 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.62 126.97 41.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.259 -0.976 . . . . 0.0 108.499 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.51 107.37 19.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.4 125.64 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -149.76 170.05 19.64 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.48 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.87 46.23 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.411 173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -30.27 66.9 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.289 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -82.35 -9.65 59.38 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.688 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 72' ' ' ILE . 6.9 t -68.92 141.07 55.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.219 1.009 . . . . 0.0 111.466 -175.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -87.51 -60.2 1.65 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.856 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 65.0 Cg_endo -72.91 -5.05 16.49 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 CA-C-N 119.716 1.758 . . . . 0.0 113.894 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -70.83 -25.17 62.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.378 -0.929 . . . . 0.0 111.369 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.88 -26.34 64.13 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.327 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.6 mtp -66.88 -29.16 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.576 -0.849 . . . . 0.0 111.332 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.573 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 13.5 mtp -77.84 -16.61 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.577 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -49.68 -53.62 39.72 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 60.6 Cg_endo -70.79 -36.49 7.99 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 CA-C-N 121.641 1.622 . . . . 0.0 113.62 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.8 -36.36 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 118.741 -1.184 . . . . 0.0 111.306 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -74.13 -30.25 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.688 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.2 -38.22 78.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.282 171.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.67 -30.31 70.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.746 -0.782 . . . . 0.0 111.182 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 29.6 t80 -79.37 -40.52 29.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.453 0.644 . . . . 0.0 112.318 -174.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.91 74.72 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.851 -0.739 . . . . 0.0 111.558 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -85.65 -10.65 55.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.782 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -57.06 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.307 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' HB2' HG12 ' A' ' 50' ' ' VAL . 88.9 m-70 -90.22 -58.61 2.44 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.814 -0.754 . . . . 0.0 108.989 -177.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.04 -69.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.8 27.93 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.692 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.4 tppt? -145.35 -40.7 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.475 -171.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 46' ' ' HIS . 12.0 p -115.96 139.36 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.704 0.764 . . . . 0.0 110.279 -174.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.7 m -104.87 106.42 16.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 169.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.21 96.66 6.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.64 -178.73 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.027 0.918 . . . . 0.0 111.786 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -140.57 111.18 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.054 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.25 121.36 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -84.16 115.36 22.37 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.294 -0.962 . . . . 0.0 108.708 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.13 -18.88 19.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.389 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.6 -44.97 40.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.294 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.33 -39.39 62.88 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.556 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -116.05 95.74 45.36 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.57 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -93.44 3.79 3.2 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.183 1.256 . . . . 0.0 113.532 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.19 -40.01 18.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.445 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 t -79.44 -28.78 41.65 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.12 -1.032 . . . . 0.0 112.051 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -66.74 -35.07 79.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.58 -0.848 . . . . 0.0 111.672 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.3 t -79.08 -29.19 43.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.569 -0.852 . . . . 0.0 111.323 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.13 -48.88 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.099 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -80.41 -36.59 33.58 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.693 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.63 77.21 1.31 Allowed Glycine 0 N--CA 1.461 0.312 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.1 121.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.831 0.824 . . . . 0.0 109.011 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.43 -51.2 68.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.065 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -170.42 127.45 0.8 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.409 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.518 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.0 pp -73.08 145.56 86.25 Favored Pre-proline 0 C--N 1.322 -0.603 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.755 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 90.4 Cg_endo -80.18 141.38 57.18 Favored 'Cis proline' 0 C--N 1.324 -0.732 0 C-N-CA 123.071 -1.637 . . . . 0.0 111.26 2.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -124.33 124.03 41.5 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.91 127.25 53.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.251 -0.979 . . . . 0.0 109.68 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.79 129.89 55.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -96.52 124.54 40.54 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.815 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -111.36 135.77 51.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.079 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.83 -76.03 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.873 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.85 50.89 0.74 Allowed Glycine 0 N--CA 1.463 0.436 0 C-N-CA 119.524 -1.322 . . . . 0.0 110.55 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.62 43.99 11.3 Favored Glycine 0 N--CA 1.46 0.289 0 C-N-CA 119.733 -1.222 . . . . 0.0 111.086 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -158.36 119.27 1.9 Allowed Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.84 119.63 5.48 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.143 1.229 . . . . 0.0 110.8 -173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.8 m -79.75 -41.63 21.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -143.33 155.89 44.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.241 1.019 . . . . 0.0 110.061 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -140.3 108.42 5.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.845 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.4 pt? -122.74 153.01 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.94 167.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 122.13 0.967 . . . . 0.0 111.245 -167.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.36 175.43 44.82 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.95 -1.119 . . . . 0.0 110.323 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -73.92 123.68 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.598 -1.241 . . . . 0.0 108.844 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.45 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.6 pt20 -127.38 112.51 21.23 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.112 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -61.63 175.71 1.57 Allowed 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 121.41 1.407 . . . . 0.0 112.775 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.05 -29.3 68.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.539 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.49 -29.76 70.46 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.188 -1.005 . . . . 0.0 111.325 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.33 -42.0 23.76 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.958 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.89 -51.96 67.78 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.547 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -45.04 82.63 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.547 -168.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.77 76.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.076 0.941 . . . . 0.0 110.908 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.32 -45.83 87.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.127 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 103' ' ' VAL . 61.6 mt -85.71 -25.33 26.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -169.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.29 68.1 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.808 -1.182 . . . . 0.0 111.627 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.74 -44.6 77.19 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.654 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.1 m -86.81 -27.34 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD22 ' HG3' ' A' ' 49' ' ' LYS . 85.1 mt -74.36 -29.54 61.61 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.574 -0.85 . . . . 0.0 112.02 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.864 178.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 121.502 0.668 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -100.07 146.93 26.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.155 0.978 . . . . 0.0 110.217 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ttt -94.07 164.25 13.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.782 176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 m -131.39 116.78 17.99 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.216 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mp -104.47 169.56 8.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.986 1.374 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -153.58 166.95 31.16 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -38.45 -44.34 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.32 -48.35 8.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.446 -0.784 . . . . 0.0 112.414 -174.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -67.74 -27.24 66.62 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.65 -0.82 . . . . 0.0 111.156 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 5' ' ' LEU . 66.6 t80 -55.52 -47.25 76.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.186 0.517 . . . . 0.0 112.207 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.38 -35.61 81.45 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.449 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.27 -26.8 52.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.973 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.71 51.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.311 0.577 . . . . 0.0 112.178 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 pt -74.92 -25.78 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.403 -174.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -74.57 -10.87 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.53 -87.64 0.02 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.253 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.33 -69.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -78.31 167.94 31.46 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.141 -169.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.81 136.35 65.45 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.955 1.77 . . . . 0.0 113.845 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -132.44 114.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 21' ' ' LEU . 9.6 tt -85.61 117.44 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.015 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -89.95 131.19 37.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HA ' HD22 ' A' ' 75' ' ' LEU . 2.5 m-20 -103.45 106.22 16.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -82.69 122.15 27.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -152.84 175.8 12.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.58 -0.848 . . . . 0.0 109.184 -170.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.87 44.77 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.619 172.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.48 63.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.607 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -85.81 -2.29 58.08 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.527 173.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' HD13 ' A' ' 72' ' ' ILE . 13.4 t -64.28 154.52 34.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.285 1.041 . . . . 0.0 111.834 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.536 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -100.51 -64.87 0.8 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.972 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.6 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 CA-C-N 119.23 1.515 . . . . 0.0 114.187 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.7 m -68.58 -29.51 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.391 -0.924 . . . . 0.0 110.948 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.23 -27.94 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.1 -0.64 . . . . 0.0 112.036 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.22 -45.54 87.8 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.074 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -85.48 1.7 47.74 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.056 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.07 -52.45 52.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 121.141 -0.974 . . . . 0.0 112.797 173.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 73.4 Cg_endo -73.52 -23.32 17.36 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-N 121.484 1.566 . . . . 0.0 113.975 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.3 m -73.62 -35.9 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.864 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.61 -38.15 90.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.56 -41.41 88.68 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.689 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.67 -29.15 70.42 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.084 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 15.7 t80 -76.55 -43.08 40.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.635 0.731 . . . . 0.0 112.166 -173.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.84 69.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.461 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.95 -5.45 53.11 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.75 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.25 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.408 -0.807 . . . . 0.0 110.079 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.452 ' HB2' HG12 ' A' ' 50' ' ' VAL . 76.5 m-70 -89.06 -51.37 5.64 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.794 -0.762 . . . . 0.0 108.945 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 69.43 -79.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 168.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -81.47 26.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.701 -0.8 . . . . 0.0 111.754 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.9 tppt? -141.29 -40.89 0.38 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.697 -173.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.9 p -110.2 140.58 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.702 0.763 . . . . 0.0 110.198 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 m -110.21 107.58 17.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 168.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.31 94.66 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.9 -179.44 4.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.0 0.905 . . . . 0.0 111.661 -169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.52 114.32 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.768 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.58 125.13 49.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -83.71 125.31 31.75 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.3 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.54 -26.23 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 119.853 -0.739 . . . . 0.0 111.853 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -79.32 -45.18 20.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.944 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -76.92 -40.75 46.15 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.92 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -111.52 104.84 56.53 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.855 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -93.26 -6.71 2.66 Favored 'Trans proline' 0 C--N 1.326 -0.614 0 C-N-CA 121.234 1.289 . . . . 0.0 113.908 -170.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -79.77 -44.84 19.92 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.136 -1.026 . . . . 0.0 112.536 -171.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -30.72 31.08 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.875 -1.13 . . . . 0.0 111.874 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -67.52 -32.21 72.85 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.587 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -80.06 -30.23 39.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.577 -0.849 . . . . 0.0 111.219 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.57 -47.0 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.329 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.42 -33.6 32.08 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.46 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.08 71.76 1.25 Allowed Glycine 0 N--CA 1.46 0.292 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.7 mm -83.34 106.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.1 mtt -86.05 -25.86 25.67 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.457 -175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -156.93 115.02 3.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.715 -1.194 . . . . 0.0 110.755 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.598 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.5 pp -82.05 146.35 55.11 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.816 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.5 130.68 16.52 Favored 'Cis proline' 0 C--N 1.325 -0.67 0 C-N-CA 123.129 -1.613 . . . . 0.0 111.536 4.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.3 m -106.31 116.75 32.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 23' ' ' ASP . 12.7 mt -102.72 126.46 49.84 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.707 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.3 mt -131.53 126.68 58.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -94.15 125.09 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.634 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.36 146.79 32.47 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -106.47 -75.11 0.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.907 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.86 56.94 0.5 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.494 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.53 43.73 35.83 Favored Glycine 0 N--CA 1.461 0.347 0 C-N-CA 119.661 -1.257 . . . . 0.0 111.206 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.46 122.38 1.77 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -176.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.74 122.2 8.33 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.25 1.3 . . . . 0.0 111.001 -174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.56 -58.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.171 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -145.54 167.79 22.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 0.0 109.926 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -139.93 117.1 11.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.285 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.0 pt? -127.56 151.66 48.61 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 167.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -137.94 166.49 23.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.29 -165.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -175.35 47.79 Favored Glycine 0 N--CA 1.46 0.263 0 C-N-CA 119.823 -1.179 . . . . 0.0 110.809 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -74.9 129.44 37.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.304 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.427 HE22 ' HG ' ' A' ' 87' ' ' LEU . 8.9 pt20 -133.14 120.06 15.95 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -54.77 163.15 4.21 Favored 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.541 1.494 . . . . 0.0 112.674 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -61.32 -29.02 69.62 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.151 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -73.3 -40.59 64.4 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.954 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -66.73 -37.06 83.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.335 1.064 . . . . 0.0 111.104 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 42.3 tp -71.84 -38.45 70.12 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.204 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.75 -45.32 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.82 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.835 0.826 . . . . 0.0 111.227 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.95 -48.34 73.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.802 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 55.4 mt -81.79 -21.81 37.51 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.674 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.88 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.436 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.07 -43.15 79.26 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.73 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 100' ' ' LEU . 28.5 m -83.11 -29.38 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.493 -0.883 . . . . 0.0 113.103 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' A' ' 49' ' ' LYS . 84.8 mt -76.73 -30.11 56.48 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.239 -173.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.142 -179.238 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 121.437 0.637 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -110.96 153.86 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.158 0.98 . . . . 0.0 110.092 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -93.69 164.56 13.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.179 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 m -134.56 118.23 17.04 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.66 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.56 174.86 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.843 1.306 . . . . 0.0 110.065 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.5 t -159.06 160.82 36.24 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.9 p-10 -34.28 -50.66 0.42 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -170.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.13 -45.6 12.82 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.59 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.77 -25.86 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.18 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.24 -47.45 72.2 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.32 -39.57 85.88 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.545 -0.862 . . . . 0.0 111.237 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -68.0 -35.56 78.51 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.711 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.31 0.576 . . . . 0.0 112.138 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.6 pt -77.07 -27.94 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.916 -0.714 . . . . 0.0 112.415 -174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.82 -10.69 60.07 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.62 -89.57 0.02 OUTLIER Glycine 0 N--CA 1.461 0.349 0 C-N-CA 119.809 -1.186 . . . . 0.0 112.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.1 -59.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.972 -1.091 . . . . 0.0 111.004 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.19 161.09 80.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.52 -171.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.15 136.37 72.96 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.744 1.629 . . . . 0.0 112.194 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.29 109.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 HD11 ' A' ' 100' ' ' LEU . 1.1 tt -86.23 110.14 19.41 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.518 -1.273 . . . . 0.0 108.334 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' HD23 ' A' ' 21' ' ' LEU . 88.5 t -83.51 125.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 119.389 -0.924 . . . . 0.0 109.139 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.49 104.39 16.42 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 175.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -81.52 121.37 26.21 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -149.59 179.73 7.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.802 0.811 . . . . 0.0 109.518 -171.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.69 158.29 43.8 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.112 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 -31.8 65.43 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.037 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.4 p-90 -81.93 -2.99 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.63 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD13 ' A' ' 72' ' ' ILE . 18.2 t -65.46 141.84 58.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.383 1.087 . . . . 0.0 112.044 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -86.97 -59.73 1.75 Allowed Glycine 0 CA--C 1.522 0.508 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.829 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 68.7 Cg_endo -73.96 -13.0 23.98 Favored 'Trans proline' 0 C--N 1.327 -0.559 0 CA-C-N 119.806 1.803 . . . . 0.0 113.797 -173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.1 m -68.62 -24.96 64.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.271 -0.971 . . . . 0.0 111.144 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.74 -29.03 70.0 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.278 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.67 -45.11 91.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.914 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.451 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 3.4 ptm -86.96 3.05 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.599 -0.84 . . . . 0.0 113.248 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -53.14 -52.64 63.91 Favored Pre-proline 0 C--N 1.322 -0.604 0 O-C-N 120.743 -1.223 . . . . 0.0 111.727 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 96.2 Cg_endo -77.3 -26.74 7.16 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 CA-C-N 121.275 1.491 . . . . 0.0 113.505 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -34.53 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.238 -0.914 . . . . 0.0 111.173 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.3 mt -73.92 -33.29 63.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -65.41 -37.18 86.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.352 -0.939 . . . . 0.0 110.802 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.92 -35.39 80.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.715 0.769 . . . . 0.0 110.869 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 39.0 t80 -74.16 -44.51 53.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.487 0.66 . . . . 0.0 112.509 -174.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.18 66.96 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.819 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.59 -33.59 60.59 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.884 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -55.07 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.584 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 50' ' ' VAL . 94.6 m-70 -85.03 -54.12 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.361 -176.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.74 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 169.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -85.9 36.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.993 0.901 . . . . 0.0 110.597 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -146.83 -39.57 0.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.557 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 46' ' ' HIS . 8.3 p -110.03 144.12 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 0.0 109.924 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 m -109.9 101.65 10.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -85.16 95.49 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.73 -179.1 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.795 0.807 . . . . 0.0 111.729 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -142.78 115.11 8.44 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.209 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -118.02 127.34 53.71 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -84.94 116.71 23.51 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.356 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.8 -17.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.06 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.14 -45.96 17.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.731 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.99 -38.51 52.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.897 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -109.98 107.32 58.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.299 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -95.06 -6.9 1.77 Allowed 'Trans proline' 0 C--N 1.327 -0.577 0 C-N-CA 121.185 1.256 . . . . 0.0 113.859 -169.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.79 -44.98 16.23 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.341 -0.943 . . . . 0.0 112.238 -170.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -80.8 -27.29 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 118.979 -1.088 . . . . 0.0 111.798 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 t -69.94 -30.47 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.393 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -80.18 -34.39 37.56 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.905 174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.72 -45.16 95.32 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.46 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.6 -31.21 18.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.437 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.6 68.96 1.36 Allowed Glycine 0 N--CA 1.46 0.278 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.259 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.84 105.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.8 mtt -91.53 -24.75 19.53 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.59 -0.844 . . . . 0.0 112.449 -174.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -146.02 103.82 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.484 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.644 HD13 ' SG ' ' A' ' 29' ' ' CYS . 1.7 pp -78.23 150.43 77.28 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.503 173.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.38 146.05 76.03 Favored 'Cis proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.173 -1.595 . . . . 0.0 110.823 1.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.406 HG23 HG22 ' A' ' 88' ' ' ILE . 16.6 m -125.45 124.26 41.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.102 0.953 . . . . 0.0 109.263 -177.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.22 122.55 44.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mt -135.06 130.84 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.041 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -92.88 130.89 38.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' N ' HD13 ' A' ' 77' ' ' LEU . 93.1 m-85 -121.09 131.88 54.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -106.62 -68.38 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.068 -1.053 . . . . 0.0 110.353 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.13 50.15 0.81 Allowed Glycine 0 N--CA 1.462 0.392 0 C-N-CA 119.591 -1.29 . . . . 0.0 111.021 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.03 44.3 12.16 Favored Glycine 0 N--CA 1.461 0.367 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.671 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -165.38 126.16 1.34 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 C-N-CA 121.268 1.312 . . . . 0.0 110.839 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.64 -51.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.605 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.76 161.85 37.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.993 0.901 . . . . 0.0 109.643 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -141.27 118.41 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.935 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 HE21 ' A' ' 99' ' ' GLN . 2.6 pt? -124.68 159.06 31.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 171.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.511 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.02 156.48 25.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.97 0.891 . . . . 0.0 110.781 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.19 -168.89 31.47 Favored Glycine 0 N--CA 1.462 0.385 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.609 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -81.48 132.75 35.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.305 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -132.53 114.03 14.37 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.42 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -57.79 171.47 1.5 Allowed 'Trans proline' 0 C--N 1.326 -0.638 0 C-N-CA 121.974 1.783 . . . . 0.0 113.384 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.91 -25.51 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.295 -0.962 . . . . 0.0 111.886 172.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.97 -36.94 85.18 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.549 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -79.56 -39.99 30.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.977 -0.689 . . . . 0.0 111.11 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.4 mm? -58.34 -56.75 18.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.455 174.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.795 -169.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.33 86.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.955 0.883 . . . . 0.0 111.192 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.609 HE21 HD22 ' A' ' 87' ' ' LEU . 4.9 tp60 -62.3 -47.24 85.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.077 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.461 HD11 HD12 ' A' ' 21' ' ' LEU . 3.9 mm? -73.99 -28.86 61.67 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.547 -0.861 . . . . 0.0 112.612 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.13 68.38 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 120.847 -1.158 . . . . 0.0 111.969 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.66 -41.11 75.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.685 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.452 HG21 ' HG ' ' A' ' 77' ' ' LEU . 33.7 m -84.67 -31.51 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.729 -176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.07 -29.81 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.944 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.919 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.645 0.735 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p -80.11 148.67 30.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.028 0.918 . . . . 0.0 110.701 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 tpt -91.02 162.77 14.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.1 m -130.69 113.15 13.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.0 -1.08 . . . . 0.0 108.94 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.49 170.75 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.262 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.68 159.49 43.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' THR . 7.6 p-10 -38.06 -43.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.509 -0.744 . . . . 0.0 112.194 -175.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.26 -30.52 71.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.342 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -48.84 -52.98 21.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.307 0.575 . . . . 0.0 112.42 175.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -68.65 -29.06 67.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.478 -0.889 . . . . 0.0 111.771 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -77.88 -34.62 51.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.277 -0.969 . . . . 0.0 111.232 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.18 82.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 pt -72.47 -23.49 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.091 -0.643 . . . . 0.0 112.645 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -76.33 -13.71 60.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.28 -85.0 0.02 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.962 -173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.24 -58.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 118.799 -1.161 . . . . 0.0 112.046 -175.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.77 172.89 4.43 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.697 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -55.94 139.44 84.53 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 C-N-CA 121.763 1.642 . . . . 0.0 113.986 -177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -134.08 113.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.0 tp -87.4 114.84 24.37 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.345 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.3 t -97.32 130.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 118.784 -1.167 . . . . 0.0 108.665 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 117.56 34.84 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -94.34 118.85 32.22 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -150.8 173.11 14.6 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.795 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.56 153.69 48.71 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.305 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.808 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -86.7 1.79 50.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.54 ' SG ' HD13 ' A' ' 72' ' ' ILE . 8.3 t -72.96 146.0 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.334 1.064 . . . . 0.0 111.914 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.56 -59.78 1.5 Allowed Glycine 0 CA--C 1.521 0.46 0 CA-C-N 114.86 -1.063 . . . . 0.0 112.833 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.43 -6.66 16.5 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 119.672 1.736 . . . . 0.0 113.787 -172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 m -70.4 -24.32 62.92 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.408 -0.917 . . . . 0.0 111.091 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -63.75 -27.07 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.67 -44.97 94.89 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.644 -0.822 . . . . 0.0 111.738 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.542 ' SD ' ' OE1' ' A' ' 91' ' ' GLN . 7.8 ptm -85.01 4.75 32.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.49 -49.99 51.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 173.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 71.9 Cg_endo -77.0 -30.23 4.61 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 121.591 1.604 . . . . 0.0 113.934 -176.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.37 -33.8 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 118.687 -1.205 . . . . 0.0 110.734 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -63.11 -34.72 78.21 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.22 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.13 -30.27 67.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.203 173.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 19.0 t80 -72.79 -45.82 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.494 0.664 . . . . 0.0 112.371 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.66 69.62 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.64 -0.824 . . . . 0.0 111.273 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -80.91 -10.26 59.74 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.311 -0.956 . . . . 0.0 111.841 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.36 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.442 -0.786 . . . . 0.0 110.724 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 86.8 m-70 -85.13 -51.07 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.258 -177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.22 -84.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 168.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.8 35.29 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.935 0.874 . . . . 0.0 111.264 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 15.7 tppt? -144.91 -44.26 0.23 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -170.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.73 166.26 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.588 1.185 . . . . 0.0 111.308 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -127.15 91.47 3.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 165.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -81.15 93.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.32 174.25 6.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.807 0.813 . . . . 0.0 111.3 -170.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -133.32 113.01 12.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.666 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -114.39 127.09 55.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -84.42 120.76 26.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.818 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.1 -23.58 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 119.512 -0.875 . . . . 0.0 112.203 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.25 -43.26 28.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.446 -0.901 . . . . 0.0 110.947 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.16 -36.79 29.76 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.784 -0.766 . . . . 0.0 112.18 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -113.75 102.21 54.58 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.402 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -97.07 -9.4 0.74 Allowed 'Trans proline' 0 C--N 1.326 -0.615 0 C-N-CA 120.99 1.127 . . . . 0.0 114.144 -169.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.35 -43.22 28.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.098 -1.041 . . . . 0.0 112.063 -172.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.6 t -77.41 -36.8 52.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.429 -0.908 . . . . 0.0 111.237 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 t -67.93 -30.18 69.44 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.5 t -79.62 -32.13 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.081 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -64.07 -43.27 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.205 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -81.68 -36.59 28.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.304 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.75 72.15 1.12 Allowed Glycine 0 N--CA 1.459 0.223 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.009 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.0 88.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 74.8 mtm -85.78 -11.84 52.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.608 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -148.4 87.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.815 -174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.54 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pp -70.37 147.62 95.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.865 171.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -77.78 146.5 81.76 Favored 'Cis proline' 0 C--N 1.324 -0.721 0 C-N-CA 123.409 -1.496 . . . . 0.0 111.74 3.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.42 HG23 HG22 ' A' ' 88' ' ' ILE . 15.5 m -138.96 126.04 21.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 35' ' ' MET . 18.3 mt -109.96 140.85 43.5 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.592 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.402 HG12 ' HG3' ' A' ' 86' ' ' GLN . 50.5 mt -134.69 125.24 45.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.81 125.32 41.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.294 -0.963 . . . . 0.0 108.653 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -107.59 137.32 45.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -106.65 -67.29 0.95 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.524 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.47 55.38 0.55 Allowed Glycine 0 N--CA 1.462 0.401 0 C-N-CA 119.411 -1.376 . . . . 0.0 110.65 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.98 39.76 45.36 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.826 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -163.93 132.02 2.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.4 119.1 5.12 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.307 1.338 . . . . 0.0 110.522 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 m -77.54 -46.51 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.43 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -148.24 117.09 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.026 0.917 . . . . 0.0 108.976 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.402 ' HG3' HG12 ' A' ' 76' ' ' ILE . 38.7 tt0 -99.38 101.86 13.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.758 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.3 pt? -96.46 148.25 22.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.612 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.27 157.08 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.982 0.896 . . . . 0.0 110.645 -168.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.78 -165.89 38.81 Favored Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.582 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -78.19 120.35 22.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.193 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.542 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -117.47 108.85 42.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -58.04 172.66 1.16 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 121.866 1.711 . . . . 0.0 113.405 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.69 -38.84 70.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.211 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -64.06 -31.14 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.36 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.42 -42.92 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.562 173.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.649 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -54.35 -52.85 60.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 119.533 -0.867 . . . . 0.0 110.912 174.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.1 -40.85 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.453 -170.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.25 76.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.882 0.848 . . . . 0.0 110.972 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.016 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.1 mt -90.22 -30.19 17.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -167.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.5 -29.41 70.53 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 120.753 -1.217 . . . . 0.0 111.439 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.62 -44.09 91.64 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.352 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.62 -26.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD22 ' HG3' ' A' ' 49' ' ' LYS . 88.1 mt -76.74 -28.36 55.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.603 -0.839 . . . . 0.0 112.58 -173.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.708 -178.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 121.479 0.657 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p -141.12 154.95 46.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.978 0.894 . . . . 0.0 109.304 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ttt -97.42 161.34 13.83 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.797 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -135.37 121.14 19.63 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.194 -1.002 . . . . 0.0 110.106 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.13 175.5 5.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.531 1.158 . . . . 0.0 110.129 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.2 t -157.28 159.18 37.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' THR . 17.8 p-10 -36.46 -44.74 0.45 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.79 -48.75 11.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.458 -0.776 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -70.98 -29.98 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.12 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -48.81 -45.39 40.31 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.756 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.53 -32.24 70.14 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.332 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -49.78 36.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.323 0.582 . . . . 0.0 112.143 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 pt -74.25 -26.02 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.926 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -72.1 -7.94 51.82 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.85 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.461 0.343 0 C-N-CA 120.478 -0.868 . . . . 0.0 114.108 -174.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -147.89 -53.34 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 118.911 -1.116 . . . . 0.0 112.531 -173.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 16.0 ptpt -133.97 -177.63 0.73 Allowed Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.68 -169.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 22.2 Cg_exo -52.58 135.69 56.12 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.167 1.911 . . . . 0.0 116.075 -173.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.19 121.61 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -82.16 134.34 35.31 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.36 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.58 128.63 66.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 75' ' ' LEU . 1.1 m-20 -102.53 111.76 24.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -86.08 116.63 24.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -146.28 175.65 10.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.763 -169.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.17 153.32 43.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 169.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.35 69.14 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.569 -0.853 . . . . 0.0 111.97 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -82.64 1.33 38.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -67.66 132.67 47.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.316 1.055 . . . . 0.0 111.899 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -75.36 -61.76 2.9 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.405 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 54.4 Cg_endo -67.75 -15.54 44.48 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 CA-C-N 119.774 1.787 . . . . 0.0 114.227 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' HD3' ' A' ' 73' ' ' PRO . 15.9 m -68.17 -14.58 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.702 174.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.94 -39.26 77.64 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.783 -0.573 . . . . 0.0 112.436 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.3 mtp -67.34 -41.89 84.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.572 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 56.0 mtp -74.76 -9.19 58.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.9 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -51.32 -56.26 21.9 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -176.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 94.6 Cg_endo -75.75 -28.26 8.14 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 CA-C-N 121.623 1.615 . . . . 0.0 113.906 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.78 -32.63 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.723 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.85 -36.03 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.317 -0.553 . . . . 0.0 112.281 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.0 -45.28 89.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.678 175.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.22 -29.51 70.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.36 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CE1' ' HG ' ' A' ' 96' ' ' LEU . 17.0 t80 -66.84 -43.0 84.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.57 0.7 . . . . 0.0 111.945 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -27.16 67.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.905 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -89.58 -10.36 46.33 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.842 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.59 -56.5 3.98 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.701 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.0 -44.62 16.43 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.11 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 73.32 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 168.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.84 -37.2 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.209 -0.996 . . . . 0.0 111.173 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.3 tppt? -65.05 -31.04 72.07 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.927 -0.709 . . . . 0.0 111.903 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.3 151.19 17.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.742 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -123.75 104.49 9.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 t -84.54 95.92 4.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.33 -175.46 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.802 0.811 . . . . 0.0 110.624 -173.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -142.28 119.0 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.858 -173.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.75 122.59 40.71 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 171.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.75 126.45 32.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.887 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.94 -33.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.489 -0.884 . . . . 0.0 111.744 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.73 -35.58 79.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.965 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.33 -51.59 6.86 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.937 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -102.4 116.39 62.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.314 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -101.51 -11.46 0.19 Allowed 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 114.71 1.004 . . . . 0.0 114.71 -167.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.24 -40.31 21.79 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.142 -1.023 . . . . 0.0 112.995 -170.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -80.55 -35.02 34.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.499 -0.881 . . . . 0.0 111.633 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -67.76 -29.28 68.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 t -81.53 -32.92 32.08 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.489 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.77 -45.55 93.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.898 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.31 -38.15 51.14 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.914 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.66 71.07 1.03 Allowed Glycine 0 N--CA 1.46 0.267 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.176 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.43 HD12 HG21 ' A' ' 74' ' ' THR . 26.3 mm -93.18 104.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.9 mtt -94.0 -21.03 19.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.442 -0.903 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -152.19 113.74 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 118.818 -1.153 . . . . 0.0 111.138 -174.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -86.14 149.06 49.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.022 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HD3' ' SG ' ' A' ' 32' ' ' CYS . 97.3 Cg_endo -82.02 154.83 78.66 Favored 'Cis proline' 0 C--N 1.326 -0.625 0 C-N-CA 123.194 -1.586 . . . . 0.0 112.443 5.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 88' ' ' ILE . 5.6 m -142.21 119.24 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.004 -175.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 23' ' ' ASP . 3.1 mm? -99.46 131.43 45.47 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 119.576 -0.849 . . . . 0.0 109.115 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -139.7 129.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -95.27 139.55 31.42 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.96 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.86 137.72 52.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.784 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -92.71 -75.2 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.853 -1.139 . . . . 0.0 109.59 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.92 58.6 0.7 Allowed Glycine 0 N--CA 1.461 0.311 0 C-N-CA 119.739 -1.22 . . . . 0.0 110.847 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.43 41.07 6.23 Favored Glycine 0 N--CA 1.462 0.372 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.773 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.97 126.68 0.65 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.88 125.99 9.11 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.31 1.34 . . . . 0.0 110.783 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.99 -65.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.819 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -147.13 154.23 40.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.077 -1.049 . . . . 0.0 110.717 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -125.98 121.45 33.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.024 -172.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 139.19 44.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.69 173.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.388 -165.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.95 -166.59 31.26 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 72.5 t80 -90.28 121.85 32.66 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.85 -1.14 . . . . 0.0 108.899 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.38 126.87 25.06 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 172.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.03 171.9 0.21 Allowed 'Trans proline' 0 CA--C 1.513 -0.537 0 C-N-CA 121.809 1.673 . . . . 0.0 113.152 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -54.92 -40.47 69.89 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.869 -0.733 . . . . 0.0 112.213 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -76.16 -37.23 58.19 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.58 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.89 -43.66 87.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.086 0.946 . . . . 0.0 110.522 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HG ' ' CE1' ' A' ' 42' ' ' PHE . 39.6 tp -65.72 -47.82 74.03 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.668 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -61.4 -38.44 87.09 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.463 -0.895 . . . . 0.0 112.014 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 91.99 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.696 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -69.45 -37.49 77.37 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.738 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.8 -36.32 62.48 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.816 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.85 65.89 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.45 -0.9 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.27 -38.16 63.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.425 -0.91 . . . . 0.0 111.738 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.4 m -78.41 -25.18 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 121.434 -0.791 . . . . 0.0 112.941 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' ' 49' ' ' LYS . 74.4 mt -77.88 -24.76 48.35 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.699 -0.8 . . . . 0.0 112.989 -172.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.756 178.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.764 0.793 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.0 p -86.34 162.24 18.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.275 1.036 . . . . 0.0 111.405 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -96.61 160.59 14.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.613 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -137.4 115.91 12.0 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.046 175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.46 175.91 5.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.811 1.291 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 t -157.82 152.98 25.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -33.35 -47.28 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 -168.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.88 -47.61 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.255 -0.903 . . . . 0.0 112.465 -175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -71.02 -27.89 64.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.105 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -52.5 -50.87 61.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.202 0.525 . . . . 0.0 112.036 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -68.06 -39.7 82.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.003 -177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -63.96 -33.65 76.2 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.748 -0.781 . . . . 0.0 111.532 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -51.61 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.817 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.72 -26.2 21.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.535 -172.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -71.86 -18.47 62.06 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.862 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.29 -90.62 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 C-N-CA 119.461 -1.352 . . . . 0.0 112.001 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -169.51 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.269 -0.972 . . . . 0.0 111.154 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.48 131.89 95.22 Favored Pre-proline 0 C--N 1.323 -0.576 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.895 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.66 133.21 43.74 Favored 'Trans proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.929 1.753 . . . . 0.0 113.304 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.16 121.02 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 tp -83.05 121.57 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.638 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.8 t -95.77 135.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.533 174.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.62 108.11 16.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -85.82 127.09 34.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -154.66 176.3 12.59 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.186 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.24 153.77 43.14 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.103 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.7 -24.21 59.9 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.488 -0.885 . . . . 0.0 111.832 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -89.9 -4.2 57.66 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.126 -0.63 . . . . 0.0 112.501 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.93 142.92 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.51 1.148 . . . . 0.0 112.16 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.52 -60.16 1.84 Allowed Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.709 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 41.9 Cg_endo -65.38 -16.33 53.85 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 119.932 1.866 . . . . 0.0 113.952 -177.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 m -74.13 -18.72 60.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.221 -0.924 . . . . 0.0 111.734 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 33' ' ' ARG . 38.7 mtp180 -60.51 -31.54 70.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.9 mtp -79.38 -30.16 42.39 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.695 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.3 mtp -74.38 -8.54 56.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.61 -0.836 . . . . 0.0 113.032 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.94 -55.89 28.95 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 60.8 Cg_endo -72.73 -21.2 21.96 Favored 'Trans proline' 0 C--N 1.328 -0.508 0 CA-C-N 121.619 1.614 . . . . 0.0 114.51 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -82.37 -33.87 11.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 120.709 -1.245 . . . . 0.0 111.151 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.61 -38.72 70.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.64 -38.63 91.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.474 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.78 -26.49 66.12 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.509 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 7.2 t80 -72.14 -41.99 66.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.622 0.725 . . . . 0.0 112.058 -175.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.98 -26.65 66.03 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.801 -0.759 . . . . 0.0 111.584 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -84.29 -15.22 47.46 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.259 -0.977 . . . . 0.0 111.751 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.92 -56.77 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.581 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' HB2' HG12 ' A' ' 50' ' ' VAL . 83.6 m-70 -84.99 -39.82 17.61 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.541 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.56 -98.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 167.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -88.55 20.05 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.086 -176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -110.45 -43.77 3.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 46' ' ' HIS . 7.8 p -107.25 128.66 62.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.545 0.688 . . . . 0.0 109.269 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -92.75 100.93 13.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -83.2 92.59 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.13 178.61 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.702 0.763 . . . . 0.0 110.381 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -141.7 117.04 10.14 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.3 -0.96 . . . . 0.0 109.799 -170.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -117.38 120.48 38.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -83.03 118.42 23.51 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.233 -0.987 . . . . 0.0 109.606 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.44 -24.02 27.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.228 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -73.48 -38.57 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.758 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.57 -52.67 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.796 -0.762 . . . . 0.0 111.258 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.25 124.83 52.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.482 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -101.85 -21.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.328 -0.538 0 N-CA-C 114.539 0.938 . . . . 0.0 114.539 -167.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -83.26 -36.96 24.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.895 -1.122 . . . . 0.0 113.311 -168.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -73.95 -29.54 62.06 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 118.681 -1.208 . . . . 0.0 111.914 -173.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.435 ' HA ' HG12 ' A' ' 69' ' ' ILE . 9.8 t -70.07 -33.54 72.05 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.344 -0.943 . . . . 0.0 111.978 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -82.06 -28.54 32.36 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.536 -0.866 . . . . 0.0 111.935 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.22 -46.21 71.18 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.506 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -83.88 -30.15 26.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.263 -0.975 . . . . 0.0 112.88 -174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.69 76.03 1.2 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -168.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 64' ' ' THR . 37.8 mm -69.22 120.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.471 ' HB2' HG21 ' A' ' 88' ' ' ILE . 94.5 mtp -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.049 -178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' MET . 37.1 t 174.5 128.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.0 pp -64.53 140.08 97.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 118.365 -1.334 . . . . 0.0 108.485 174.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.27 131.53 23.02 Favored 'Cis proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.549 -1.438 . . . . 0.0 111.685 5.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 88' ' ' ILE . 21.5 m -122.49 118.57 28.62 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.69 124.42 51.19 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.453 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.511 HD11 HE21 ' A' ' 86' ' ' GLN . 69.8 mt -138.2 128.45 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.014 -173.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 tt -92.99 137.35 32.44 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.278 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -118.2 144.76 45.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.787 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -118.93 -63.44 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.604 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.36 52.63 0.8 Allowed Glycine 0 N--CA 1.463 0.452 0 C-N-CA 119.488 -1.339 . . . . 0.0 110.93 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.03 45.97 18.25 Favored Glycine 0 N--CA 1.462 0.374 0 C-N-CA 119.735 -1.221 . . . . 0.0 111.088 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -166.08 120.96 0.91 Allowed Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 -173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.93 114.07 3.45 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.256 1.304 . . . . 0.0 110.337 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.5 t -68.04 -52.2 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.914 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.59 156.59 45.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.113 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.511 HE21 HD11 ' A' ' 76' ' ' ILE . 51.0 tt0 -138.35 112.65 8.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.112 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -140.41 155.55 46.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.005 0.907 . . . . 0.0 109.374 169.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -143.4 -175.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.391 -0.924 . . . . 0.0 111.443 -165.321 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.58 -171.32 55.15 Favored Glycine 0 N--CA 1.462 0.428 0 C-N-CA 119.945 -1.121 . . . . 0.0 111.284 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -80.35 127.46 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.216 -1.393 . . . . 0.0 108.48 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.679 HE22 HD13 ' A' ' 87' ' ' LEU . 10.1 pt20 -137.55 124.57 13.7 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 89.6 Cg_exo -55.9 173.97 0.35 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 121.429 1.419 . . . . 0.0 113.544 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.73 -43.38 98.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.337 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.69 -33.9 77.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.366 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -70.11 -38.66 75.68 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.867 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.3 mt -67.27 -46.22 74.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.09 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.005 -171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.31 74.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.982 0.896 . . . . 0.0 110.951 174.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.468 ' HG2' HD21 ' A' ' 87' ' ' LEU . 6.8 tp-100 -59.87 -51.28 70.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 78.3 mt -82.0 -27.71 32.99 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.841 -0.744 . . . . 0.0 112.848 -167.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -28.03 69.74 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.921 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -75.5 -36.68 60.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.985 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 100' ' ' LEU . 11.2 m -76.96 -25.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.531 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.92 -26.49 60.54 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.026 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 . . . . . 0 C--O 1.25 1.125 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 171.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.7 p -83.02 149.12 27.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.391 1.091 . . . . 0.0 110.895 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.5 tpt -97.32 166.35 11.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.322 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.3 m -132.74 118.09 18.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.963 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.35 169.76 8.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.77 1.271 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -159.54 154.47 24.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.82 -43.17 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -169.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.65 15.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.377 -0.827 . . . . 0.0 112.197 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -74.11 -28.81 61.53 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.356 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -49.58 -50.04 44.05 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.35 -42.31 83.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.376 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.1 -32.12 73.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.425 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.7 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.511 0.672 . . . . 0.0 111.667 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 pt -82.13 -19.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.168 -0.613 . . . . 0.0 112.238 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -74.88 -15.6 60.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.52 -86.37 0.03 OUTLIER Glycine 0 N--CA 1.463 0.437 0 C-N-CA 119.653 -1.261 . . . . 0.0 112.254 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -169.52 -50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.637 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -79.62 141.84 56.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.193 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -38.54 124.78 0.87 Allowed 'Trans proline' 0 C--N 1.326 -0.606 0 C-N-CA 122.529 2.152 . . . . 0.0 115.583 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.41 124.45 67.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD13 HD11 ' A' ' 100' ' ' LEU . 45.9 tp -84.63 135.49 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.549 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.27 130.21 67.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.74 111.42 24.13 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 73.0 m-85 -87.93 118.42 27.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -149.55 174.46 12.5 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.071 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.4 151.21 43.28 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.896 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.5 67.95 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.457 -0.897 . . . . 0.0 111.497 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.8 p-90 -82.46 8.89 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.7 t -78.07 144.92 36.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.554 1.168 . . . . 0.0 112.646 -171.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -88.1 -56.49 2.05 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.911 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 80.2 Cg_endo -78.04 -7.07 16.21 Favored 'Trans proline' 0 C--N 1.327 -0.567 0 CA-C-N 119.933 1.867 . . . . 0.0 113.911 -173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.66 -14.47 60.36 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.368 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -63.22 -29.78 71.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.836 -0.54 . . . . 0.0 111.75 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.7 mtt -63.54 -46.61 85.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.246 -0.582 . . . . 0.0 111.155 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 73' ' ' PRO . 5.2 ptp -85.35 -3.96 59.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -47.87 -51.3 47.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.488 174.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 61.3 Cg_endo -73.16 -25.95 15.37 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 CA-C-N 120.876 1.349 . . . . 0.0 114.134 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.07 -39.25 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 O-C-N 120.179 -1.576 . . . . 0.0 110.778 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD11 ' SD ' ' A' ' 35' ' ' MET . 73.3 mt -71.27 -35.68 71.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.11 -34.81 73.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.826 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.02 -29.68 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.722 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.3 t80 -74.47 -40.05 62.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.438 0.637 . . . . 0.0 112.543 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.21 -32.56 72.86 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.522 -0.871 . . . . 0.0 111.183 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -94.53 6.51 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.531 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 -54.35 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.991 0.9 . . . . 0.0 109.217 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 72.7 m-70 -92.83 -52.46 4.6 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 70.93 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.391 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -84.95 44.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.201 1.0 . . . . 0.0 109.965 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 16.7 tppt? -152.22 -51.65 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.4 m -92.6 152.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.408 1.099 . . . . 0.0 111.282 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -112.98 91.5 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 161.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.67 93.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.06 178.53 4.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.926 0.87 . . . . 0.0 110.897 -170.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -137.29 105.93 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.594 -174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.4 tm? -108.96 115.56 30.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -81.69 127.75 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.099 -1.041 . . . . 0.0 109.873 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 69' ' ' ILE . 29.4 m -71.42 -17.82 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.981 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.4 -39.57 53.27 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.674 -0.811 . . . . 0.0 110.999 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -86.73 -53.28 5.03 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.658 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -92.28 127.48 48.78 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.301 -170.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -98.6 -27.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.079 1.186 . . . . 0.0 114.026 -168.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.73 -44.58 20.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.632 -168.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 t -77.97 -31.97 51.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.075 -1.05 . . . . 0.0 111.453 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -68.08 -37.82 81.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.867 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 t -81.5 -31.16 32.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.293 -0.963 . . . . 0.0 111.718 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.61 -41.32 97.29 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.776 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.44 -30.46 25.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.587 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 68.71 1.17 Allowed Glycine 0 N--CA 1.459 0.221 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.287 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 74' ' ' THR . 17.7 mm -100.37 93.03 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.165 -176.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 62.2 mtt -123.69 39.27 4.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.508 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -161.65 70.75 0.35 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.776 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.695 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pp -74.38 144.25 80.91 Favored Pre-proline 0 C--N 1.324 -0.524 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.595 176.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 95.2 Cg_endo -83.88 141.14 37.72 Favored 'Cis proline' 0 C--N 1.322 -0.82 0 C-N-CA 122.988 -1.672 . . . . 0.0 112.342 7.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 88' ' ' ILE . 5.2 m -123.89 117.04 23.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.838 0.828 . . . . 0.0 109.377 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -99.74 124.96 45.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.93 124.97 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -94.34 134.85 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.232 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 83' ' ' PRO . 78.2 m-85 -110.48 158.11 18.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.575 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -138.08 -66.02 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.13 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.08 63.52 0.44 Allowed Glycine 0 N--CA 1.462 0.383 0 C-N-CA 119.65 -1.262 . . . . 0.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 37.44 93.82 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 119.638 -1.267 . . . . 0.0 111.664 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -164.14 123.02 1.26 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -171.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 59.2 Cg_endo -70.7 119.92 6.69 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 121.42 1.413 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.1 -46.67 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.011 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.36 149.29 37.52 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.601 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -135.96 122.35 20.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.644 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.8 pt? -134.88 150.4 50.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.581 HG22 HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -136.63 164.82 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.975 0.893 . . . . 0.0 110.998 -165.381 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.91 -179.15 50.18 Favored Glycine 0 N--CA 1.461 0.36 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.38 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -65.56 139.52 58.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.306 1.05 . . . . 0.0 109.936 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' HG2' ' CE ' ' A' ' 35' ' ' MET . 8.9 pt20 -145.27 116.34 5.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -56.25 169.09 1.67 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.359 1.373 . . . . 0.0 113.957 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -54.63 -39.52 68.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.094 176.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.83 -28.58 69.09 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.146 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -71.74 -42.58 67.1 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.26 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -56.62 -50.51 71.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 119.696 -0.801 . . . . 0.0 110.996 174.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.77 -43.76 79.05 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.497 -0.881 . . . . 0.0 112.244 -169.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.24 82.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.002 0.906 . . . . 0.0 111.087 176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -61.58 -46.37 90.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.382 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.579 HD11 HD13 ' A' ' 21' ' ' LEU . 3.1 mm? -79.26 -39.41 33.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.585 -0.846 . . . . 0.0 113.203 -173.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.75 69.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.26 -0.976 . . . . 0.0 111.857 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.98 -46.12 92.02 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.776 -0.77 . . . . 0.0 111.803 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.7 -26.0 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.5 mt -73.81 -16.06 61.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.15 -177.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.536 0.684 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 p -118.8 145.58 45.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.937 0.875 . . . . 0.0 109.785 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ttt -107.72 162.67 13.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.2 m -131.76 117.87 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.095 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.25 169.35 8.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.909 1.338 . . . . 0.0 110.851 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -149.56 160.88 43.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.765 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -33.65 -48.83 0.29 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.19 -52.51 6.2 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.078 -172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -67.43 -29.02 68.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.825 -0.75 . . . . 0.0 111.374 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HE1' HG11 ' A' ' 22' ' ' VAL . 83.1 t80 -50.59 -51.08 51.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.992 0.425 . . . . 0.0 112.13 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 68.1 mt-30 -61.32 -49.99 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.376 -0.93 . . . . 0.0 110.629 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.33 -37.92 85.03 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.538 -0.865 . . . . 0.0 112.038 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.23 74.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.311 0.576 . . . . 0.0 112.436 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 pt -75.39 -34.03 29.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.611 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 91.5 mm-40 -68.38 -12.41 61.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.4 -88.52 0.03 OUTLIER Glycine 0 CA--C 1.52 0.399 0 C-N-CA 119.702 -1.237 . . . . 0.0 112.034 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -165.98 -53.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 118.757 -1.177 . . . . 0.0 112.985 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -75.86 168.04 31.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.524 -167.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -60.76 134.47 54.1 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 121.823 1.682 . . . . 0.0 112.997 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -141.02 113.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -81.74 105.13 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.082 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG11 ' HE1' ' A' ' 10' ' ' PHE . 86.3 t -80.86 122.09 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 174.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.91 109.29 21.67 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -84.76 126.67 33.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -162.78 176.19 10.52 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.444 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.6 151.53 49.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 169.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.56 -25.35 64.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.287 -0.965 . . . . 0.0 112.231 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 -87.79 -5.18 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.527 -0.733 . . . . 0.0 112.918 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.3 t -54.71 140.24 36.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.456 1.122 . . . . 0.0 112.962 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.5 -61.91 2.02 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.988 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.35 -16.28 35.06 Favored 'Trans proline' 0 C--N 1.327 -0.598 0 CA-C-N 119.988 1.894 . . . . 0.0 113.469 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 73' ' ' PRO . 5.9 m -69.11 -19.71 64.05 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.394 -0.922 . . . . 0.0 111.128 173.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.85 -34.72 76.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.225 0.536 . . . . 0.0 111.681 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 92.6 mtp -63.42 -53.16 56.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.125 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.401 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.6 ptm -84.65 2.62 40.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -50.39 -53.19 47.72 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 121.111 -0.993 . . . . 0.0 112.415 174.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 84.4 Cg_endo -73.85 -17.02 23.04 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-N 121.102 1.429 . . . . 0.0 114.174 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 m -78.27 -36.31 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 120.587 -1.321 . . . . 0.0 110.226 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.68 -39.03 84.49 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.793 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.4 -45.82 85.98 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.787 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.77 -29.53 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.399 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.8 t80 -66.99 -46.15 75.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.536 0.684 . . . . 0.0 112.176 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.87 -30.35 71.34 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.872 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -82.05 -17.57 46.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.801 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.29 -57.35 4.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.644 0.735 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -83.98 -49.6 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.38 -83.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 167.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -83.3 34.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.781 0.801 . . . . 0.0 111.465 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HG3' HD22 ' A' ' 104' ' ' LEU . 17.0 tppt? -143.49 -48.26 0.3 Allowed 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.825 -172.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -102.83 135.73 38.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.778 0.799 . . . . 0.0 110.47 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.4 m -102.69 103.06 13.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.79 89.86 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.01 174.29 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.021 0.915 . . . . 0.0 110.998 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -140.24 107.01 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.491 -0.884 . . . . 0.0 109.892 -170.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.31 124.92 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 173.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -81.13 123.75 28.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.214 -0.994 . . . . 0.0 109.742 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 72' ' ' ILE . 8.1 p -72.95 -19.29 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.207 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -79.52 -45.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.348 -0.845 . . . . 0.0 110.9 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.69 -48.78 13.11 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.627 -0.829 . . . . 0.0 112.739 -174.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -96.35 120.9 61.6 Favored Pre-proline 0 C--N 1.324 -0.541 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.956 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -102.32 -14.54 0.12 Allowed 'Trans proline' 0 C--N 1.329 -0.488 0 C-N-CA 120.684 0.923 . . . . 0.0 114.286 -168.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -81.05 -33.65 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.131 -1.028 . . . . 0.0 112.78 -170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.6 t -82.31 -33.34 29.06 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 118.929 -1.108 . . . . 0.0 111.627 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -66.75 -26.37 66.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.712 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -78.74 -31.57 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.671 -0.811 . . . . 0.0 111.372 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -65.94 -40.86 91.74 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.864 -0.735 . . . . 0.0 111.832 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -94.25 -38.06 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.456 -0.898 . . . . 0.0 111.67 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.22 77.52 1.37 Allowed Glycine 0 CA--C 1.518 0.246 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 -173.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -96.04 111.4 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 75.4 mtm -92.85 -23.51 18.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.122 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.4 t -155.02 137.75 15.27 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.157 -1.017 . . . . 0.0 109.665 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.422 HG21 HG11 ' A' ' 57' ' ' VAL . 1.2 pp -95.49 151.81 38.83 Favored Pre-proline 0 C--N 1.32 -0.679 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.639 169.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 71.6 Cg_endo -83.89 146.62 52.55 Favored 'Cis proline' 0 C--N 1.324 -0.736 0 C-N-CA 122.936 -1.693 . . . . 0.0 111.721 4.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -130.72 116.25 17.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 mt -105.67 133.24 50.74 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.771 -1.171 . . . . 0.0 109.684 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.1 mt -138.86 131.0 37.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.211 -175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -98.82 130.15 45.24 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.208 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -117.09 144.08 45.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.747 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -101.56 -84.0 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.143 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.89 49.31 0.86 Allowed Glycine 0 N--CA 1.461 0.305 0 C-N-CA 119.462 -1.351 . . . . 0.0 112.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.04 33.49 7.73 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.416 -1.373 . . . . 0.0 112.981 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -155.49 126.76 3.63 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.76 116.32 4.68 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.212 1.275 . . . . 0.0 110.313 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.83 -58.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.537 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -146.84 153.88 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.426 1.108 . . . . 0.0 110.049 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -127.68 131.54 49.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.215 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.27 148.76 43.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.454 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -139.27 160.86 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.857 -169.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.79 -157.81 30.14 Favored Glycine 0 N--CA 1.46 0.273 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.543 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -90.74 125.44 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.746 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.94 118.49 19.58 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 173.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -46.82 163.19 0.13 Allowed 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 122.431 2.088 . . . . 0.0 115.674 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -51.8 -43.59 63.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.027 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.56 -30.77 71.55 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.208 -0.597 . . . . 0.0 112.145 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -74.2 -33.44 63.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.084 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.9 mm? -60.18 -47.58 85.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.039 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.29 -41.29 89.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.818 -170.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.17 -53.24 40.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.177 0.989 . . . . 0.0 110.599 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -50.27 -44.74 53.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.531 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 83.6 mt -88.08 -21.97 24.42 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -169.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.25 77.61 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 120.722 -1.236 . . . . 0.0 112.089 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -42.0 86.78 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.456 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.563 HG21 ' HG ' ' A' ' 77' ' ' LEU . 34.2 m -80.89 -29.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 49' ' ' LYS . 65.3 mt -74.73 -39.65 61.74 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.686 -0.806 . . . . 0.0 112.61 -172.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.716 -176.224 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.704 0.764 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.3 p -101.13 154.44 18.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.304 1.049 . . . . 0.0 110.468 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.1 tpt -77.99 161.12 27.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.811 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 57.2 m -135.39 119.9 18.08 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.333 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.76 170.42 7.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.859 1.314 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . 10.1 t -152.31 158.39 42.69 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.3 p-10 -31.54 -49.91 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 -170.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.48 -54.26 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.215 -0.928 . . . . 0.0 112.314 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.98 -27.02 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.452 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -51.59 -48.7 63.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 23.4 mm100 -63.84 -54.59 32.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.107 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -54.73 -34.21 62.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.643 -0.823 . . . . 0.0 112.493 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.73 88.91 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.189 -0.605 . . . . 0.0 112.401 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.0 -24.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 119.929 -0.708 . . . . 0.0 112.702 -173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 68.4 mt-30 -72.42 -10.21 59.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -84.31 0.02 OUTLIER Glycine 0 N--CA 1.463 0.456 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.961 -172.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -157.03 -71.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.991 -1.083 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HB2' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -95.42 -178.24 0.76 Allowed Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.886 -169.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB2' ' A' ' 18' ' ' LYS . 36.3 Cg_exo -56.94 140.26 91.7 Favored 'Trans proline' 0 C--N 1.327 -0.555 0 C-N-CA 121.72 1.613 . . . . 0.0 114.912 -171.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.6 t -142.06 119.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.6 134.91 33.91 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.692 -1.203 . . . . 0.0 110.173 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.1 t -107.88 131.87 57.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.24 109.62 21.51 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -87.66 119.15 27.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -145.77 173.83 11.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 109.049 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.02 153.5 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.154 172.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.76 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.726 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.41 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 36.7 p-90 -84.82 -9.87 57.73 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.763 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.13 139.5 58.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.362 1.077 . . . . 0.0 111.75 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.59 -60.97 2.24 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.07 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.97 -8.98 23.09 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 CA-C-N 119.625 1.712 . . . . 0.0 113.909 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -73.93 -15.97 61.11 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.725 176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.03 -37.61 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.728 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.2 mtt -66.42 -32.41 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.419 -0.912 . . . . 0.0 111.647 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.438 ' HA ' HG22 ' A' ' 38' ' ' VAL . 43.5 mtp -75.66 -13.98 60.34 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.041 -1.063 . . . . 0.0 113.124 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -54.01 46.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.92 -37.5 3.59 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-N 121.478 1.564 . . . . 0.0 113.48 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 35' ' ' MET . 34.1 m -67.81 -33.05 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.505 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.95 -34.05 64.13 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.713 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.16 -38.27 85.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.155 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.15 -26.38 64.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.686 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 15.1 t80 -72.18 -43.5 64.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.713 0.768 . . . . 0.0 111.313 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.09 66.52 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.456 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.12 -23.94 28.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.537 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -58.25 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' HB2' HG12 ' A' ' 50' ' ' VAL . 84.3 m-70 -84.93 -53.61 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.986 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.16 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 170.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.6 38.76 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.9 0.857 . . . . 0.0 110.893 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 17.9 tppt? -149.96 -47.81 0.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.376 0.608 . . . . 0.0 109.415 -172.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 46' ' ' HIS . 9.6 p -105.73 143.65 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 110.444 -173.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 m -102.51 107.97 19.11 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -93.77 95.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.77 179.26 4.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -171.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -138.82 111.46 7.65 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.94 -172.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.96 121.5 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -82.9 124.4 30.31 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.702 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.5 m -68.07 -22.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.378 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 15.8 t70 -83.21 -46.31 12.85 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.721 -0.791 . . . . 0.0 110.825 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.36 -38.96 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.52 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -116.46 103.13 53.12 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -95.66 -7.92 1.39 Allowed 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.163 1.242 . . . . 0.0 113.527 -169.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.13 -37.66 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.741 -171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -77.47 -36.71 52.57 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.005 -1.078 . . . . 0.0 111.229 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -67.11 -27.91 67.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.89 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -79.85 -31.19 40.49 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.4 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.39 -53.32 44.99 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.171 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -73.32 -32.34 64.53 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.643 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.26 71.58 1.24 Allowed Glycine 0 N--CA 1.459 0.204 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 HG21 ' A' ' 74' ' ' THR . 41.3 mm -82.67 115.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.8 mtt -79.06 -40.32 31.57 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.219 -0.992 . . . . 0.0 111.569 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.0 t -159.51 118.48 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.703 -1.199 . . . . 0.0 110.974 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.445 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.5 pp -72.68 149.44 90.6 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.47 -0.892 . . . . 0.0 109.626 172.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.49 144.23 76.7 Favored 'Cis proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.325 -1.531 . . . . 0.0 111.283 2.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 69' ' ' ILE . 14.8 m -128.58 121.87 29.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.843 0.83 . . . . 0.0 109.0 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -105.5 115.98 31.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.93 125.32 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.056 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 103' ' ' VAL . 3.4 tm? -93.4 123.65 36.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.61 142.47 35.3 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.3 -68.47 0.85 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.945 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 55.45 0.69 Allowed Glycine 0 N--CA 1.461 0.366 0 C-N-CA 119.69 -1.243 . . . . 0.0 110.507 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.19 38.12 47.45 Favored Glycine 0 N--CA 1.462 0.406 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.826 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 124.59 2.57 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 -174.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.26 120.3 6.9 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 121.544 1.496 . . . . 0.0 111.067 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.66 -51.66 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.785 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -140.97 155.51 46.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.234 1.016 . . . . 0.0 109.418 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -136.9 113.95 10.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.629 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD22 HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -132.79 130.52 39.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -127.87 -177.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.312 1.053 . . . . 0.0 111.845 -165.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.33 -172.09 40.98 Favored Glycine 0 N--CA 1.46 0.293 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -82.95 121.93 27.63 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.462 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.533 HE21 HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -125.58 116.86 24.81 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.063 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -54.77 170.04 0.7 Allowed 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 122.023 1.816 . . . . 0.0 113.768 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 36.2 ttpt -58.82 -31.66 68.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.188 172.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.93 -40.44 79.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.327 -0.858 . . . . 0.0 111.738 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -70.68 -40.89 72.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.828 0.823 . . . . 0.0 110.788 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 6.9 mt -60.82 -43.52 98.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.56 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 42.2 mt-10 -67.31 -38.9 85.69 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.115 -1.034 . . . . 0.0 112.121 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.47 68.99 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.615 -0.834 . . . . 0.0 111.255 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -58.69 -40.88 84.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.434 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 82.6 mt -89.43 -25.32 21.58 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -168.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.21 73.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.843 -1.161 . . . . 0.0 111.563 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.29 -40.17 86.05 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.105 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.491 HG21 ' HG ' ' A' ' 77' ' ' LEU . 19.4 m -85.33 -26.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.23 -30.69 65.14 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.907 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.157 179.234 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 121.754 0.788 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p -130.07 144.46 51.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.042 0.925 . . . . 0.0 110.377 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.86 161.07 16.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.069 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.1 m -133.28 117.8 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.598 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD13 ' HB1' ' A' ' 53' ' ' ALA . 6.2 mp -102.2 169.83 8.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.877 1.323 . . . . 0.0 111.074 -176.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ASP . 7.8 t -147.75 156.77 43.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.696 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' THR . 9.4 p-10 -31.67 -49.75 0.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.46 -46.72 9.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.313 -0.867 . . . . 0.0 112.827 -174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.37 -30.83 71.69 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 119.611 -0.836 . . . . 0.0 110.937 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -50.06 -48.54 52.93 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.192 0.52 . . . . 0.0 112.341 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.16 -36.63 83.6 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.732 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -78.69 -29.06 45.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.955 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.5 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.418 0.628 . . . . 0.0 112.219 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.28 -22.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.079 -0.649 . . . . 0.0 112.42 -175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -79.45 -25.09 42.01 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.435 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.55 -82.04 0.43 Allowed Glycine 0 N--CA 1.46 0.264 0 C-N-CA 119.754 -1.212 . . . . 0.0 113.934 -170.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.26 -164.99 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.371 1.081 . . . . 0.0 112.591 -167.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.47 -175.75 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.109 -177.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' LYS . 6.0 Cg_exo -39.84 123.17 1.17 Allowed 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 122.102 1.868 . . . . 0.0 115.87 -176.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.55 117.03 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -87.74 109.61 19.84 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.633 -1.227 . . . . 0.0 109.168 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 131.8 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.009 -1.076 . . . . 0.0 108.919 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.09 113.19 25.54 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 79.2 m-85 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -149.88 177.71 9.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.29 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.52 45.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.191 -1.003 . . . . 0.0 109.021 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.03 63.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.746 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.421 ' HE1' ' HB2' ' A' ' 58' ' ' ASP . 42.6 p-90 -81.34 -8.64 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.527 -0.869 . . . . 0.0 112.408 173.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.5 t -67.46 141.84 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.217 1.008 . . . . 0.0 111.753 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -89.85 -58.95 1.55 Allowed Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.033 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 72.1 Cg_endo -74.82 -4.13 14.94 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 CA-C-N 119.889 1.844 . . . . 0.0 113.752 -174.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -26.82 62.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.979 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.1 -20.17 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.119 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.85 -51.09 71.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.828 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.442 ' HA ' HG12 ' A' ' 38' ' ' VAL . 7.5 ptm -87.93 1.72 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.44 -0.904 . . . . 0.0 113.248 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' N ' ' HD2' ' A' ' 37' ' ' PRO . . . -52.02 -53.51 51.02 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 174.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 95.6 Cg_endo -74.42 -25.74 12.84 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 121.535 1.584 . . . . 0.0 113.151 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 35' ' ' MET . 2.8 p -75.3 -30.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.499 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.81 -30.38 66.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.48 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.76 -32.89 71.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.957 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.68 -30.07 69.51 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.591 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.514 ' CZ ' HD12 ' A' ' 100' ' ' LEU . 8.2 t80 -70.49 -43.3 70.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.609 0.719 . . . . 0.0 111.834 -176.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -19.49 64.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.732 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.08 -30.86 55.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.393 174.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.13 -52.32 7.92 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.002 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.424 ' HB2' HG22 ' A' ' 50' ' ' VAL . 97.5 m-70 -82.79 -52.46 6.73 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.543 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 -85.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -84.77 24.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.729 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HG3' HD22 ' A' ' 104' ' ' LEU . 14.1 tppt? -133.07 -38.31 0.97 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.237 -171.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 46' ' ' HIS . 9.9 m -103.3 146.95 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 122.359 1.076 . . . . 0.0 110.558 176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.9 m -108.55 93.75 4.69 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 163.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.18 90.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB1' HD13 ' A' ' 5' ' ' LEU . . . -101.09 171.8 7.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.231 -170.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -146.72 115.35 6.78 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.065 -1.054 . . . . 0.0 110.642 -174.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.66 128.13 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.43 115.69 21.56 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.906 -1.117 . . . . 0.0 108.554 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.84 -23.7 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.574 -0.851 . . . . 0.0 112.01 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' HE1' ' A' ' 28' ' ' TRP . 31.1 t70 -75.14 -48.31 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.854 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -68.69 -42.39 77.87 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -112.56 105.16 56.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 119.604 -0.839 . . . . 0.0 109.945 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.2 -16.32 1.08 Allowed 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.03 1.154 . . . . 0.0 113.558 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -85.59 -28.75 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.046 -1.062 . . . . 0.0 111.928 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -72.62 -44.76 61.52 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.409 -0.917 . . . . 0.0 110.175 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -64.89 -29.64 70.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.427 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.4 p -83.11 -27.97 29.79 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.684 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.32 -48.63 79.0 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.951 -0.699 . . . . 0.0 110.999 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -83.11 -36.85 24.5 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.885 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 81.94 1.56 Allowed Glycine 0 N--CA 1.459 0.191 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -92.49 96.41 6.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.2 mtt -83.21 -25.02 32.12 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.396 -0.922 . . . . 0.0 112.312 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -149.15 112.25 4.91 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.069 -176.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -81.26 147.97 62.04 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.307 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -86.5 132.71 14.56 Favored 'Cis proline' 0 C--N 1.325 -0.71 0 C-N-CA 123.213 -1.578 . . . . 0.0 110.804 2.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 88' ' ' ILE . 3.6 m -103.05 126.44 50.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.634 0.731 . . . . 0.0 109.14 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.6 125.78 51.38 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.28 130.09 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 19' ' ' PRO . 3.3 tm? -99.03 123.04 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.265 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -108.49 137.96 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -106.18 -71.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.141 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 56.53 0.56 Allowed Glycine 0 N--CA 1.462 0.403 0 C-N-CA 119.568 -1.301 . . . . 0.0 110.657 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 43.36 23.2 Favored Glycine 0 N--CA 1.462 0.384 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.509 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -169.52 124.1 0.7 Allowed Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -173.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.78 121.69 7.21 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 121.27 1.314 . . . . 0.0 110.167 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 m -77.69 -46.18 27.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.118 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HD2' HE22 ' A' ' 99' ' ' GLN . 97.5 mttt -144.58 165.39 28.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.397 1.094 . . . . 0.0 110.021 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -140.32 111.65 7.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.515 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HE22 ' A' ' 91' ' ' GLN . 0.2 OUTLIER -124.16 154.93 39.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.019 0.914 . . . . 0.0 108.552 170.261 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -133.85 165.96 30.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.138 0.97 . . . . 0.0 111.268 -166.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.29 177.53 51.87 Favored Glycine 0 N--CA 1.46 0.28 0 C-N-CA 119.997 -1.097 . . . . 0.0 111.893 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.28 129.33 39.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.337 -0.945 . . . . 0.0 108.459 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.557 HE22 HD13 ' A' ' 87' ' ' LEU . 6.3 pt20 -136.42 127.8 16.88 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -56.44 166.36 3.57 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 121.591 1.527 . . . . 0.0 113.418 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 31.7 ttpt -57.95 -33.04 68.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.936 175.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.39 -36.55 84.31 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.828 -0.749 . . . . 0.0 112.002 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -70.95 -40.86 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.2 mt -64.33 -43.49 94.48 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.833 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.47 -41.29 72.95 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.64 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.3 85.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.111 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.679 HE22 ' HD2' ' A' ' 85' ' ' LYS . 30.6 tp60 -58.46 -53.14 61.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.461 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 70.0 mt -81.17 -27.79 35.27 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.702 -0.799 . . . . 0.0 112.573 -168.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.72 72.2 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 120.827 -1.171 . . . . 0.0 111.885 173.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.03 -43.96 97.73 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.817 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.22 -23.42 7.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 49' ' ' LYS . 67.2 mt -78.78 -26.89 44.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -170.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 119.184 -1.006 . . . . 0.0 111.409 -174.013 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.598 0.713 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.4 p -132.76 155.46 48.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.327 1.061 . . . . 0.0 110.44 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -90.98 161.95 14.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.216 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.3 m -131.33 117.86 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.593 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.76 174.56 5.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.783 1.278 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' ASP . 9.8 t -159.62 166.39 30.78 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.5 p-10 -36.92 -48.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -170.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.2 -49.23 9.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.491 -0.756 . . . . 0.0 112.521 -175.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.4 -30.85 68.91 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.272 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.22 -47.96 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt-30 -61.94 -46.53 88.92 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.177 -178.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.6 -29.24 65.59 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.426 -0.909 . . . . 0.0 112.34 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.75 90.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.419 0.628 . . . . 0.0 112.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 pt -78.63 -21.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 63.8 mt-30 -75.92 -11.28 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.22 -86.62 0.03 OUTLIER Glycine 0 N--CA 1.464 0.507 0 C-N-CA 119.601 -1.285 . . . . 0.0 112.938 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -165.03 -63.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 118.978 -1.089 . . . . 0.0 111.209 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -66.22 160.38 65.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.671 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.63 131.53 46.23 Favored 'Trans proline' 0 C--N 1.325 -0.66 0 C-N-CA 121.635 1.556 . . . . 0.0 112.734 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.0 t -124.67 111.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.31 108.13 17.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.929 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -82.38 138.72 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.65 175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -111.56 107.16 16.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -83.87 122.71 29.07 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -151.57 176.06 11.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.875 -170.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.58 157.47 46.09 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.012 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.53 -29.53 63.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.27 -0.972 . . . . 0.0 111.539 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.1 p-90 -81.58 -3.62 53.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.503 173.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.75 140.87 55.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.318 1.056 . . . . 0.0 111.682 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 31' ' ' PRO . . . -85.19 -60.58 1.82 Allowed Glycine 0 CA--C 1.521 0.42 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.677 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 66.0 Cg_endo -73.41 -11.35 24.58 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 CA-C-N 119.698 1.749 . . . . 0.0 113.88 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.6 m -70.75 -27.25 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.074 -1.05 . . . . 0.0 110.786 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.25 -23.83 63.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.157 -0.617 . . . . 0.0 112.466 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.57 -45.1 95.55 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.847 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -80.89 -1.8 44.91 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -48.97 -59.02 7.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 120.995 -1.066 . . . . 0.0 112.966 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 88.6 Cg_endo -71.55 -20.75 26.66 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-N 121.489 1.567 . . . . 0.0 113.045 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.22 -46.61 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.145 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.35 -37.57 87.96 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.512 -0.475 . . . . 0.0 112.235 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.49 -42.05 98.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.149 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.93 -28.74 64.72 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.48 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 22.4 t80 -71.42 -43.56 66.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 111.546 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.2 66.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.007 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.17 -15.74 46.01 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.425 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.53 -57.02 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.43 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 81.1 m-70 -81.92 -51.03 8.49 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.232 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.54 -79.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 168.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.95 30.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.638 -0.825 . . . . 0.0 111.209 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' HIS . 42.7 tptt -137.57 -44.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 -172.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 m -105.91 145.85 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 122.381 1.086 . . . . 0.0 111.225 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -113.06 91.8 3.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 162.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.25 97.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.03 -177.6 3.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.998 0.904 . . . . 0.0 111.53 -169.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -138.47 119.97 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.23 -173.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.89 124.53 43.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 173.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.78 121.51 27.0 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.287 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.85 -23.4 29.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 119.856 -0.738 . . . . 0.0 112.139 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.99 -47.15 13.02 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.804 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.49 -41.39 60.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.988 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -104.21 115.2 63.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.958 -170.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -98.73 -16.37 0.2 Allowed 'Trans proline' 0 C--N 1.327 -0.59 0 C-N-CA 120.953 1.102 . . . . 0.0 113.832 -169.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.56 -38.43 21.69 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.289 -0.965 . . . . 0.0 112.847 -169.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.0 t -83.56 -29.97 27.4 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 118.921 -1.112 . . . . 0.0 111.973 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -68.7 -33.97 74.86 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.584 -0.847 . . . . 0.0 111.624 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -80.28 -30.23 38.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.36 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -65.46 -49.98 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.646 -0.821 . . . . 0.0 110.944 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.36 -36.22 46.39 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.419 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.18 76.45 1.31 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.0 mm -85.15 109.87 18.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.2 mtp -82.77 -34.48 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.232 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -159.18 116.58 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.802 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.9 pt -79.53 147.87 68.68 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.435 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.66 127.42 13.53 Favored 'Cis proline' 0 C--N 1.326 -0.634 0 C-N-CA 123.123 -1.615 . . . . 0.0 111.464 6.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 m -107.72 115.85 30.89 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.07 127.17 52.76 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.102 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.33 129.67 67.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -175.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.4 tm? -96.24 124.45 40.25 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.428 -0.909 . . . . 0.0 108.663 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -112.11 150.27 30.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -103.84 -85.54 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.12 -1.032 . . . . 0.0 109.186 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.08 51.41 0.7 Allowed Glycine 0 N--CA 1.461 0.31 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.11 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.87 36.42 6.77 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.777 -1.202 . . . . 0.0 111.95 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -157.11 126.41 3.13 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.06 119.53 5.88 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.417 1.411 . . . . 0.0 110.604 -175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.4 t -67.74 -60.5 2.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.34 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -149.84 156.68 42.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.198 0.999 . . . . 0.0 109.78 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -119.11 116.43 26.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.617 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 pp -120.87 149.54 42.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -138.86 171.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 122.117 0.961 . . . . 0.0 111.138 -165.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.56 173.21 49.57 Favored Glycine 0 N--CA 1.46 0.242 0 C-N-CA 119.797 -1.192 . . . . 0.0 110.635 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -79.56 119.88 23.14 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.384 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -117.82 133.13 23.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 92.4 Cg_exo -55.92 168.76 1.64 Allowed 'Trans proline' 0 CA--C 1.512 -0.61 0 C-N-CA 121.695 1.597 . . . . 0.0 114.024 -176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -66.2 -38.69 88.6 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.559 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -70.62 -34.86 72.56 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.745 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.48 -45.67 86.33 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.442 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 18.0 mt -57.73 -48.16 80.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.16 -41.35 98.22 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.179 -172.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.98 78.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.989 0.9 . . . . 0.0 111.122 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.101 -175.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 100' ' ' LEU . 4.2 mm? -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.043 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -27.77 62.15 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.141 -1.024 . . . . 0.0 111.942 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.99 -43.22 88.43 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.671 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.3 m -84.17 -26.82 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.901 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.04 -30.29 49.77 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.712 -0.795 . . . . 0.0 112.106 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.407 -178.56 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.872 0.844 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 p -94.17 166.29 12.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.057 0.932 . . . . 0.0 111.109 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.74 163.93 19.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.5 m -128.33 115.0 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.383 174.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD23 ' CD2' ' A' ' 10' ' ' PHE . 4.8 mp -96.93 169.81 9.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.629 1.204 . . . . 0.0 110.214 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -157.46 177.47 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.121 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -43.0 -54.23 4.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.32 -32.69 16.4 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.659 -0.816 . . . . 0.0 112.558 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.96 -28.4 61.47 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.121 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CD2' HD23 ' A' ' 5' ' ' LEU . 63.7 t80 -62.35 -45.26 93.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.221 0.534 . . . . 0.0 111.959 176.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.66 -41.32 98.21 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.072 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.81 -31.3 72.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.591 -0.844 . . . . 0.0 111.718 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.33 29.55 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.219 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 pt -79.5 -26.36 12.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 119.361 -0.935 . . . . 0.0 112.759 -172.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.11 -12.59 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.699 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.93 -89.16 0.09 OUTLIER Glycine 0 CA--C 1.519 0.303 0 C-N-CA 119.677 -1.249 . . . . 0.0 112.509 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -169.08 -46.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.575 -173.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -67.0 140.92 96.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.063 -174.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -42.54 129.15 4.95 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.867 1.711 . . . . 0.0 113.634 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.83 112.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tt -89.0 106.88 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.288 175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.17 120.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.179 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.18 110.4 22.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.438 ' HB2' ' HB ' ' A' ' 74' ' ' THR . 94.5 m-85 -85.59 125.87 33.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -148.33 178.18 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.514 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.98 158.19 44.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.186 -1.006 . . . . 0.0 109.791 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.66 -26.7 60.87 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.63 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -84.72 -4.93 59.27 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.209 173.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 72' ' ' ILE . 11.6 t -66.43 150.64 48.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 112.391 -173.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.506 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -96.32 -59.95 1.02 Allowed Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.791 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 68.6 Cg_endo -73.84 -5.72 17.48 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 119.727 1.763 . . . . 0.0 113.589 -175.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -69.41 -28.09 65.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.075 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -67.01 -27.52 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.808 173.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.38 -38.36 71.52 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.472 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.7 mtp -77.8 -11.67 59.91 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.336 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . . . -52.16 -50.59 78.15 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -176.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 92.3 Cg_endo -81.67 -11.9 11.36 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-N 121.836 1.691 . . . . 0.0 113.978 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -87.73 -36.38 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 118.712 -1.195 . . . . 0.0 109.82 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.72 -39.05 84.32 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.661 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.61 -36.43 84.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.86 -0.736 . . . . 0.0 111.406 178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.57 -30.46 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.546 -0.862 . . . . 0.0 111.014 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 11.7 t80 -65.79 -45.84 80.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.733 0.777 . . . . 0.0 111.354 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.9 -23.78 65.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.839 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.2 -35.34 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.745 -0.782 . . . . 0.0 111.385 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -50.86 19.62 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.531 -175.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 50' ' ' VAL . 95.5 m-70 -85.05 -52.77 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.525 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 67.1 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 169.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -83.25 15.05 3.1 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.331 -176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -122.36 -30.66 3.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.182 0.515 . . . . 0.0 110.062 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 46' ' ' HIS . 13.4 p -122.91 125.76 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.537 0.684 . . . . 0.0 109.413 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.5 m -92.87 93.84 8.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 170.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -85.98 99.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.71 178.02 4.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.135 0.969 . . . . 0.0 111.896 -168.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -141.28 110.49 6.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.916 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 tt -117.9 132.1 56.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 171.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -82.54 124.05 29.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.496 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -61.54 -30.83 49.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.229 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.14 -43.8 13.53 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.23 -42.18 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.357 -0.937 . . . . 0.0 112.163 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -112.67 99.16 46.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -100.27 8.94 0.67 Allowed 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 120.894 1.062 . . . . 0.0 113.809 -166.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -82.52 -35.2 27.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.721 -172.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.3 t -82.33 -33.21 29.01 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.56 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.6 t -67.37 -26.34 66.42 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.765 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.9 p -74.18 -29.84 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.34 174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -69.46 -49.47 54.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.13 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.99 -36.1 23.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.46 -0.896 . . . . 0.0 111.882 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.15 77.21 1.06 Allowed Glycine 0 N--CA 1.461 0.343 0 C-N-CA 119.714 -1.232 . . . . 0.0 110.065 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.67 111.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.5 mtm -95.54 -18.06 20.91 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.512 -0.875 . . . . 0.0 113.33 -172.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.3 t -150.04 99.55 2.83 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 118.642 -1.223 . . . . 0.0 111.209 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 72' ' ' ILE . 1.7 pp -80.92 149.15 66.42 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.484 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.95 146.55 51.94 Favored 'Cis proline' 0 C--N 1.327 -0.594 0 C-N-CA 122.964 -1.682 . . . . 0.0 111.286 2.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.452 ' HA ' HG22 ' A' ' 88' ' ' ILE . 5.9 m -125.13 123.85 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.89 0.852 . . . . 0.0 109.453 -174.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.77 121.16 41.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.9 124.65 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -100.97 131.57 46.79 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.894 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.36 142.99 44.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.97 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -97.37 -76.18 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.743 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.29 61.17 0.51 Allowed Glycine 0 N--CA 1.463 0.464 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.048 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.8 43.02 36.69 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 119.735 -1.221 . . . . 0.0 110.951 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 111.39 2.9 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.53 115.81 4.44 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.3 1.333 . . . . 0.0 110.112 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.05 -48.89 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.449 -0.9 . . . . 0.0 110.381 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -146.24 147.91 31.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.58 1.181 . . . . 0.0 110.276 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -131.6 111.32 11.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.567 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.14 143.88 51.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.01 0.91 . . . . 0.0 108.805 174.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -136.21 165.97 27.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 122.109 0.957 . . . . 0.0 111.296 -167.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 169.97 33.91 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -77.09 111.03 12.25 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.287 -1.365 . . . . 0.0 109.214 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 6.4 pt20 -117.24 125.71 27.98 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 91' ' ' GLN . 85.4 Cg_exo -58.14 173.0 1.06 Allowed 'Trans proline' 0 C--N 1.326 -0.633 0 C-N-CA 121.412 1.408 . . . . 0.0 113.702 -174.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.53 -40.78 60.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.18 176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.98 -29.69 70.63 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.029 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 91' ' ' GLN . 72.8 mm-40 -74.45 -38.34 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.69 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 3.5 mm? -59.2 -46.34 88.69 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.073 172.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.34 -42.16 98.22 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.034 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.43 92.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.481 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -63.91 -51.51 64.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.438 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.93 -27.57 43.74 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.193 -1.003 . . . . 0.0 112.397 -172.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.34 -31.42 67.56 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 118.856 -1.137 . . . . 0.0 111.731 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -65.71 -43.56 88.75 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.373 -0.931 . . . . 0.0 111.865 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.82 -26.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.55 -10.64 59.73 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 120.342 -0.543 . . . . 0.0 112.346 -178.355 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.0 p -95.07 155.04 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.924 0.869 . . . . 0.0 110.157 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 25.7 ttt -115.84 121.06 41.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.186 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.4 m -87.4 118.57 26.93 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.202 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.43 175.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.673 1.225 . . . . 0.0 109.99 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -157.79 168.84 26.05 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -37.9 -47.74 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.68 -47.17 10.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.613 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -71.47 -25.93 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.278 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.5 -49.67 71.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.208 0.528 . . . . 0.0 111.994 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.02 -37.29 86.6 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.404 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -75.17 -28.6 60.14 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.977 177.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.74 -48.94 67.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.334 0.588 . . . . 0.0 112.178 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 pt -79.48 -28.57 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.743 -0.783 . . . . 0.0 112.496 -171.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -75.45 -13.87 60.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.44 -85.79 0.03 OUTLIER Glycine 0 N--CA 1.462 0.414 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.01 -175.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.33 -54.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.05 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -76.02 159.85 79.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.199 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.39 136.3 74.86 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 121.749 1.633 . . . . 0.0 112.709 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.18 109.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 21' ' ' LEU . 8.4 tt -84.32 115.1 22.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.705 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.08 123.33 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 119.207 -0.997 . . . . 0.0 108.45 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 3.1 m-20 -101.55 104.68 15.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.55 124.97 31.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 4.3 p-90 -149.38 175.13 11.72 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.066 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.34 152.97 44.86 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.292 174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.83 -24.77 65.32 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.589 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -88.59 -2.26 58.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.644 173.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 72' ' ' ILE . 9.9 t -68.22 146.5 53.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.367 1.08 . . . . 0.0 111.906 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.511 ' H ' ' HD2' ' A' ' 31' ' ' PRO . . . -94.29 -58.42 1.22 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.69 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' H ' ' A' ' 30' ' ' GLY . 57.1 Cg_endo -71.47 -9.33 25.0 Favored 'Trans proline' 0 C--N 1.329 -0.488 0 CA-C-N 120.044 1.922 . . . . 0.0 114.103 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 m -70.84 -22.87 62.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.742 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -69.35 -31.67 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.487 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.26 -53.0 62.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.861 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.6 ptm -85.38 4.64 34.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.18 80.63 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 121.132 -0.98 . . . . 0.0 113.091 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.83 -15.78 13.17 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-N 121.802 1.679 . . . . 0.0 113.976 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -76.81 -33.21 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.442 -1.303 . . . . 0.0 110.31 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.89 -35.31 76.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.947 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -64.25 -41.32 97.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.967 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -69.4 -32.52 71.58 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.809 -0.757 . . . . 0.0 111.057 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 96' ' ' LEU . 35.4 t80 -66.91 -43.13 84.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.678 0.751 . . . . 0.0 111.919 -177.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.76 -25.47 63.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.963 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -83.97 -15.65 47.0 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.727 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.45 -58.41 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.458 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . 90.2 m-70 -83.68 -44.61 14.32 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.913 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.08 -95.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 170.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -80.22 -16.77 54.04 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.197 -1.001 . . . . 0.0 111.631 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HG3' HD22 ' A' ' 104' ' ' LEU . 18.1 tppt? -72.98 -35.25 66.86 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.523 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 46' ' ' HIS . 16.4 m -108.61 165.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.516 1.15 . . . . 0.0 111.062 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 m -126.18 90.47 3.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 162.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.28 93.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 3' ' ' MET . . . -101.17 174.4 6.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.37 1.081 . . . . 0.0 111.563 -168.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -138.94 112.02 7.96 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.502 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 tp -111.18 135.11 52.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 171.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -83.93 120.38 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 118.636 -1.226 . . . . 0.0 108.327 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.13 -20.94 23.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.146 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.69 -39.54 24.16 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.052 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -80.56 -42.89 21.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.816 -0.753 . . . . 0.0 111.85 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -105.07 113.31 64.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.287 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -105.76 7.81 0.22 Allowed 'Trans proline' 0 C--N 1.327 -0.603 0 C-N-CA 120.473 0.782 . . . . 0.0 114.089 -167.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -89.96 -43.37 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.994 -1.082 . . . . 0.0 112.614 -171.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.5 t -82.02 -25.38 34.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 111.689 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -65.56 -23.56 66.89 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.741 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -79.44 -35.74 39.98 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.66 -0.816 . . . . 0.0 111.437 175.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -55.56 18.05 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.453 -0.899 . . . . 0.0 110.766 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -83.44 -32.14 26.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.36 -0.936 . . . . 0.0 112.045 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.3 67.66 1.4 Allowed Glycine 0 N--CA 1.46 0.247 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -91.1 100.01 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.2 mtt -135.94 32.43 2.95 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.533 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.6 t -146.33 58.41 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.313 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.553 HD13 ' SG ' ' A' ' 29' ' ' CYS . 2.0 pp -71.66 147.51 92.12 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 119.431 -0.908 . . . . 0.0 110.453 -177.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.0 129.79 19.8 Favored 'Cis proline' 0 C--N 1.325 -0.676 0 C-N-CA 123.151 -1.604 . . . . 0.0 111.18 1.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.433 ' HA ' HG22 ' A' ' 88' ' ' ILE . 28.9 m -110.49 121.41 45.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 23' ' ' ASP . 17.3 mt -110.11 124.19 51.08 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.884 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mt -130.49 122.25 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 119.581 -0.848 . . . . 0.0 108.857 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.4 tm? -93.32 120.49 33.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -178.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 83' ' ' PRO . 96.4 m-85 -108.38 141.43 40.22 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.144 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -98.52 -66.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.88 49.57 0.9 Allowed Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.548 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.55 -32.82 6.57 Favored Glycine 0 N--CA 1.462 0.398 0 C-N-CA 119.587 -1.292 . . . . 0.0 112.122 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.41 127.23 71.71 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 63.6 Cg_endo -75.79 120.99 6.03 Favored 'Trans proline' 0 C--N 1.325 -0.691 0 C-N-CA 121.552 1.501 . . . . 0.0 110.42 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.8 t -78.21 -50.09 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.903 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -138.89 134.03 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -119.19 106.21 12.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.653 ' HG ' HE22 ' A' ' 91' ' ' GLN . 2.5 pt? -127.76 150.06 49.97 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.548 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -140.12 155.75 24.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.669 -168.015 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.68 179.42 29.4 Favored Glycine 0 N--CA 1.461 0.324 0 C-N-CA 119.723 -1.227 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -69.57 138.38 53.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.369 1.081 . . . . 0.0 109.683 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.653 HE22 ' HG ' ' A' ' 87' ' ' LEU . 6.5 pt20 -152.77 122.04 3.3 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -54.47 167.47 1.36 Allowed 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 121.617 1.544 . . . . 0.0 114.656 -173.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -61.72 -38.66 88.72 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.088 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.775 -0.77 . . . . 0.0 111.296 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -73.69 -37.68 65.12 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.881 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 4.1 mm? -58.86 -48.36 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.12 169.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.55 -30.36 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.58 -0.848 . . . . 0.0 112.239 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.1 -51.57 52.68 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.905 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.99 -42.41 99.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.777 0.798 . . . . 0.0 111.564 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 103' ' ' VAL . 44.9 mt -87.4 -28.6 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.039 -0.665 . . . . 0.0 112.631 -170.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.39 64.65 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.468 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -47.43 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.839 -0.745 . . . . 0.0 111.535 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 100' ' ' LEU . 27.8 m -83.11 -25.05 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.488 HD22 ' HG3' ' A' ' 49' ' ' LYS . 83.1 mt -78.94 -36.63 41.43 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.714 -0.794 . . . . 0.0 111.652 -174.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.799 -179.557 . . . . . . . . 0 0 . 1 stop_ save_