data_2lq0_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 2lq0 _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' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.853 0.358 . . . . 73.109999999999999 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 -40.05 83.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.838 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 35.9 m120 -81.19 -19.08 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.854 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.7 -38.97 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.0 m80 -57.45 -56.76 30.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.707 . . . . 73.209999999999994 110.854 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.77 -23.99 30.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 72.310000000000002 112.338 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.77 -23.7 36.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.873 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.85 90.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 61.240000000000002 111.126 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.519999999999996 111.122 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.6 -45.56 89.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.21 -27.07 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.74 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 111.167 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.3 t -71.14 -21.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.120000000000005 111.144 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -39.15 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 70.239999999999995 110.861 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.44 -35.01 21.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 110.881 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.27 89.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.091 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 64.239999999999995 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.6 -27.08 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -70.63 -36.26 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.239999999999995 110.834 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.66 -34.61 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.219999999999999 110.867 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttp85 -56.63 -41.98 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.898 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 73.420000000000002 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.03 -40.06 83.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 9.5 m120 -81.21 -19.01 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 71.519999999999996 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -65.72 -38.93 90.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.551 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m80 -57.48 -56.8 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 71.010000000000005 110.819 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.73 -24.0 30.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 75.230000000000004 112.35 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.74 -23.72 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.871 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.83 90.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 64.409999999999997 111.075 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.07 97.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 63.039999999999999 111.094 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.73 -45.46 89.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 75.349999999999994 110.874 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -27.02 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 75.200000000000003 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.71 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.450000000000003 111.103 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.12 -21.25 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 111.155 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -39.08 25.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.299999999999997 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.230000000000004 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.26 88.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 64.049999999999997 111.121 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.72 -38.34 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.907 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.67 -27.05 45.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 75.230000000000004 110.913 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.64 -36.22 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.69 -34.65 24.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.81 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -56.55 -42.02 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 72.150000000000006 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 71.319999999999993 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m -59.09 -40.01 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.812 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.4 m-20 -81.21 -18.96 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.72 -39.01 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.0 m80 -57.4 -56.81 30.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 73.329999999999998 110.839 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.78 -24.01 30.05 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 75.219999999999999 112.343 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.73 -23.66 36.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.908 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.94 90.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.450000000000003 111.137 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.400000000000006 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.71 -45.48 89.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.23 -27.1 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.19 -40.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.8 t -71.14 -21.25 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 64.540000000000006 111.146 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -39.14 25.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 64.109999999999999 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.6 m -85.5 -35.0 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.540000000000006 110.852 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.28 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.7 -38.38 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.55 -27.15 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.099999999999994 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -70.6 -36.2 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.010000000000005 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.340000000000003 110.845 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -56.56 -42.09 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.519999999999996 110.909 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.786 0.327 . . . . 74.030000000000001 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.09 -39.99 83.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 72.519999999999996 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 34.7 m120 -81.22 -18.98 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.329999999999998 110.912 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.891 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.547 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m80 -57.41 -56.75 30.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.61 0.719 . . . . 74.400000000000006 110.888 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.77 -24.03 30.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 70.030000000000001 112.339 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.71 -23.72 36.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 72.450000000000003 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.92 90.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.329999999999998 111.054 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 111.116 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.66 -45.5 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 61.32 110.85 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.18 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 72.420000000000002 110.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 71.310000000000002 111.104 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.1 -21.33 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.530000000000001 111.115 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.915 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.38 -35.11 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.904 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.26 89.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -73.69 -38.37 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.857 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.61 -27.1 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.55 -36.29 73.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 75.120000000000005 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.68 -34.61 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 71.420000000000002 110.847 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -56.53 -42.02 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.319999999999993 110.893 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.768 0.318 . . . . 74.430000000000007 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.01 -40.0 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.439999999999998 110.868 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.6 m120 -81.23 -19.06 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 60.100000000000001 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -65.72 -38.99 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.889 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.543 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m170 -57.43 -56.81 30.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 74.120000000000005 110.824 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.72 -24.04 30.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 73.319999999999993 112.332 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.74 -23.71 36.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 65.140000000000001 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.9 90.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.209999999999994 111.153 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.13 97.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.115 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.19 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 110.851 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.78 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 65.439999999999998 111.138 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.08 -21.27 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 111.163 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -39.18 25.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.310000000000002 110.837 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -85.43 -35.0 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.409999999999997 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.31 89.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 63.030000000000001 111.135 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -73.95 -38.47 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.16 -27.39 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.91 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.06 -36.28 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.873 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.26 -33.46 24.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.838 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp85 -55.32 -42.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.349999999999994 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.847 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.834 0.349 . . . . 75.230000000000004 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.98 83.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 70.439999999999998 110.861 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 29.4 m120 -81.23 -18.97 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.310000000000002 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -65.77 -38.98 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.541 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m-70 -57.42 -56.77 30.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 72.25 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.1 Cg_endo -69.77 -24.08 30.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 72.299999999999997 112.286 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -81.74 -23.66 36.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.310000000000002 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.86 90.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 111.133 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.16 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.019999999999996 111.107 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.64 -45.56 89.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.349999999999994 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.16 -27.08 63.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.75 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.319999999999993 111.133 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.09 -21.32 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.319999999999993 111.124 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.46 -35.12 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.57 89.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 111.082 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.21 -39.11 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.319999999999993 110.902 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.82 -27.55 55.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 63.140000000000001 110.887 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -71.11 -35.21 71.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.010000000000005 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.69 -35.87 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 110.86 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.96 -41.82 83.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 63.030000000000001 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.905 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 75.340000000000003 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.12 -40.02 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.441 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 33.1 m120 -81.2 -18.98 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 74.120000000000005 110.861 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.73 -39.01 90.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 110.837 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.55 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.7 m80 -57.45 -56.71 31.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 71.109999999999999 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.5 Cg_endo -69.77 -24.01 30.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.209999999999994 112.361 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.72 -23.69 36.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 71.030000000000001 110.954 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.88 90.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 111.105 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.08 97.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 50.119999999999997 111.101 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.72 -45.49 89.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 64.329999999999998 110.872 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.2 -27.1 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.109999999999999 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.28 -40.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.129999999999995 111.14 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.16 -21.25 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 111.115 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -39.11 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 110.842 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.49 -34.99 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 61.539999999999999 110.904 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.65 -38.37 65.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -78.62 -27.09 45.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 75.329999999999998 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -70.68 -36.17 73.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 110.83 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.57 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.310000000000002 110.892 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.62 -42.0 78.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 73.420000000000002 110.831 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.420000000000002 110.853 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.809 0.337 . . . . 75.109999999999999 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.07 -39.94 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.400000000000006 110.882 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.446 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 36.2 m120 -81.22 -19.05 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.319999999999993 110.883 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.67 -38.98 90.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.0 m80 -57.5 -56.75 30.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 73.030000000000001 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.78 -23.91 30.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 74.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.58 -24.58 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.219999999999999 110.924 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.52 92.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 111.084 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.05 97.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.310000000000002 111.064 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.25 -45.88 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.540000000000006 110.855 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.24 -27.21 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 64.519999999999996 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.87 -40.77 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.01 -21.33 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 111.172 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -39.1 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 74.540000000000006 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.43 -35.19 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 64.25 110.87 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 111.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.24 -39.11 63.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 74.010000000000005 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -76.86 -27.46 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 74.519999999999996 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -71.24 -35.13 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -82.72 -35.87 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -57.88 -41.93 83.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.882 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -59.11 -40.0 83.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 m-20 -81.19 -19.01 44.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 62.039999999999999 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.74 -39.03 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.030000000000001 110.86 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 11.5 m-70 -57.39 -56.79 30.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 74.310000000000002 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.79 -23.96 30.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 72.200000000000003 112.369 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.75 -23.65 36.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 72.239999999999995 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.91 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 111.041 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.15 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 111.076 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.67 -45.49 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.21 -27.01 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 70.239999999999995 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.29 -40.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 111.094 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.4 t -71.14 -21.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.146 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -39.16 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.200000000000003 110.875 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.2 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 71.109999999999999 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.63 89.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 63.310000000000002 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -74.22 -39.03 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.93 -27.49 54.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.902 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -71.31 -35.08 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 63.399999999999999 110.874 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -82.75 -35.8 26.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.844 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.420000000000002 110.848 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.010000000000005 110.84 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.339 . . . . 75.400000000000006 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.11 -39.99 83.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 m-20 -81.15 -19.05 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.902 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -65.65 -39.01 90.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.548 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m170 -57.45 -56.81 30.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.219999999999999 110.859 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.74 -23.92 30.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 72.540000000000006 112.325 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.63 -24.6 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.549999999999997 110.921 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.079 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.0 97.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 72.030000000000001 111.074 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.33 -45.81 89.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.29 -27.14 63.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.878 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.76 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 71.349999999999994 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -71.11 -21.29 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 65.439999999999998 111.105 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.17 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.530000000000001 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.1 m -85.41 -35.01 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.27 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 111.08 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -73.72 -38.35 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.310000000000002 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.64 -27.13 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -70.61 -36.17 73.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.892 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.59 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 61.109999999999999 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -56.56 -41.97 77.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.549999999999997 110.898 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 73.400000000000006 110.856 -179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.76 0.314 . . . . 75.310000000000002 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.03 -39.97 83.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 70.109999999999999 110.844 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.7 m-20 -81.25 -19.0 44.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.862 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.73 -38.99 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.55 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m170 -57.47 -56.75 30.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 75.150000000000006 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.73 -23.93 30.36 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.66 2.24 . . . . 74.200000000000003 112.365 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.62 -24.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.926 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.59 92.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.549999999999997 111.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.04 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 71.019999999999996 111.093 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.28 -45.86 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 73.219999999999999 110.845 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.23 -27.2 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.150000000000006 110.85 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.093 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.09 -21.25 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 75.239999999999995 111.138 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -39.03 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.47 -35.08 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 71.030000000000001 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.34 89.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.549999999999997 111.101 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -73.64 -38.37 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.120000000000005 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.69 -27.04 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.230000000000004 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -70.65 -36.21 73.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 70.129999999999995 110.859 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.72 -34.56 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.019999999999996 110.848 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -56.62 -41.94 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.140000000000001 110.833 -179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 74.349999999999994 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.11 -39.98 83.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.44 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.4 m120 -81.21 -18.97 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.299999999999997 110.893 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.71 -39.0 90.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 13.1 m-70 -57.51 -56.69 31.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.538 0.685 . . . . 73.299999999999997 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.7 Cg_endo -69.78 -23.9 30.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 73.219999999999999 112.34 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.54 -24.68 36.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.439999999999998 110.962 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.56 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.03 97.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.349999999999994 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.28 -45.89 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.15 -27.27 63.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.84 -40.8 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.8 t -71.02 -21.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 62.219999999999999 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -39.12 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.86 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.41 -35.12 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 65.510000000000005 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.25 88.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 73.049999999999997 111.129 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.409999999999997 110.891 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.67 -27.03 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 72.140000000000001 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -70.72 -36.13 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 70.439999999999998 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.72 -34.61 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 72.200000000000003 110.849 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -42.07 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.9 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.96 -40.03 83.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 70.329999999999998 110.892 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 31.4 m-20 -81.23 -18.97 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 65.420000000000002 110.845 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -65.74 -38.94 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.329999999999998 110.894 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.45 -56.75 30.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 74.010000000000005 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.81 -23.88 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.652 2.235 . . . . 73.209999999999994 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -81.63 -24.56 36.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.129999999999995 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.54 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.076 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.0 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 75.420000000000002 111.131 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.29 -45.86 89.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.843 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.24 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.120000000000005 110.854 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 111.086 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -71.1 -21.24 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 75.120000000000005 111.149 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -39.1 25.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m -85.47 -35.06 21.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.36 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.088 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.62 -38.37 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 62.130000000000003 110.881 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.71 -27.02 44.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.64 -36.27 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.836 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.67 -34.58 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -56.59 -42.01 77.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.340000000000003 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.019999999999996 110.87 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 110.827 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.97 83.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 110.833 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 21.8 m120 -81.22 -18.99 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 75.299999999999997 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.67 -39.01 90.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.89 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.542 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.1 m170 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 75.129999999999995 110.856 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 73.150000000000006 112.379 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.68 -24.55 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 75.329999999999998 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 55.43 111.055 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.02 97.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 111.115 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.25 -45.85 89.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.22 -27.27 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.78 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.06 -21.28 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 111.15 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -39.11 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 65.340000000000003 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.3 89.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 111.11 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.826 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -27.37 47.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.109999999999999 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.09 -36.36 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.319999999999993 110.81 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.24 -33.38 24.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 74.310000000000002 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -55.39 -42.73 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.540000000000006 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.129999999999995 110.86 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.876 0.369 . . . . 73.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.04 -40.01 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.867 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.441 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 59.2 m-20 -81.21 -19.01 44.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.409999999999997 110.878 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.68 -39.02 90.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.551 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.7 m170 -57.48 -56.77 30.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 71.239999999999995 110.844 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 2.271 . . . . 72.430000000000007 112.355 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.63 -24.6 36.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 64.140000000000001 111.114 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.04 97.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 71.209999999999994 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.22 -45.92 89.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.430000000000007 110.817 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.19 -27.23 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.83 -40.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.450000000000003 111.142 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.6 t -71.07 -21.25 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 64.209999999999994 111.153 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -39.02 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.874 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.47 -35.1 21.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.349999999999994 110.838 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.23 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.019999999999996 111.117 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.69 -38.38 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.450000000000003 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.67 -27.09 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.841 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.62 -36.18 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.75 -34.55 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.871 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -56.54 -42.08 77.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.150000000000006 110.904 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.400000000000006 110.869 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.817 0.342 . . . . 74.120000000000005 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -59.02 -40.06 83.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 63.439999999999998 110.858 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 4.9 m120 -81.17 -18.99 44.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.549999999999997 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.68 -39.06 90.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.879 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.43 -56.75 30.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 65.219999999999999 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.77 -24.05 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 74.540000000000006 112.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.67 -23.72 36.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 110.92 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.9 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 111.087 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.05 97.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 73.510000000000005 111.114 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.74 -45.43 89.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.881 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -26.99 63.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.420000000000002 111.089 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.13 -21.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 111.07 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -39.16 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.519999999999996 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -85.45 -35.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.7 -38.33 64.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 73.450000000000003 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.66 -27.09 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.099999999999994 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -70.6 -36.29 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.67 -34.58 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.239999999999995 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -56.46 -42.03 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.875 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.855 0.359 . . . . 74.420000000000002 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -59.5 -40.47 87.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 72.1 m-20 -81.97 -19.12 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 110.84 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.83 -39.01 90.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 75.150000000000006 110.872 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.9 m-70 -57.43 -56.78 30.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 72.319999999999993 110.859 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.687 2.258 . . . . 63.039999999999999 112.353 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.67 -23.75 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.89 90.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.519999999999996 111.087 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.15 97.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 111.122 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.63 -45.52 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.519999999999996 110.857 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.17 -27.09 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 74.230000000000004 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.23 -40.77 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.549999999999997 111.128 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -71.07 -21.26 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.420000000000002 111.164 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -39.16 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.400000000000006 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.4 -35.18 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.56 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.019999999999996 111.125 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.27 -39.12 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.83 -27.51 55.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.109999999999999 110.841 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -71.2 -35.18 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.838 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.72 -35.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 64.510000000000005 110.849 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.93 -41.93 83.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 73.420000000000002 110.833 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.869 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.851 0.358 . . . . 74.209999999999994 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.99 -40.02 83.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 66.7 m-20 -81.21 -19.04 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.439999999999998 110.855 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.55 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m80 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.696 . . . . 75.200000000000003 110.886 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.8 -23.82 30.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.67 2.247 . . . . 74.450000000000003 112.384 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.65 -24.6 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 75.019999999999996 110.897 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 74.120000000000005 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.0 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.133 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.35 -45.79 89.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.5 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.29 -27.15 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.81 -40.79 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 111.14 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -21.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 111.103 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -39.17 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.79 -34.67 21.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.884 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.58 88.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.409999999999997 111.118 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -70.32 -39.26 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -79.64 -26.8 41.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -71.02 -36.04 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.75 -34.71 24.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.25 110.855 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -56.52 -41.99 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 64.510000000000005 110.869 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.400000000000006 110.821 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 74.420000000000002 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.1 -39.96 83.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 110.865 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.439 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 27.8 m120 -81.22 -18.99 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -65.73 -38.96 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.551 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.2 m170 -57.48 -56.77 30.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 74.200000000000003 110.873 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.78 -23.86 30.21 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 75.109999999999999 112.389 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.61 -24.71 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.907 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.47 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 111.071 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.08 97.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 73.519999999999996 111.102 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -63.32 -45.78 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.838 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.39 -26.98 63.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.549999999999997 110.852 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.42 -40.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.420000000000002 111.117 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.95 -21.7 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.117 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -39.04 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.12 -35.33 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.92 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.34 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 111.122 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.72 -38.36 64.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.62 -27.16 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.409999999999997 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -70.6 -36.2 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.230000000000004 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.71 -34.56 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.150000000000006 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -56.61 -42.02 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 74.120000000000005 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.92 -40.09 83.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.857 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.446 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 12.6 m-20 -81.18 -19.04 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 110.876 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.66 -39.02 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 m80 -57.46 -56.79 30.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.717 . . . . 73.319999999999993 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.69 -23.92 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 65.420000000000002 112.403 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.67 -24.58 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.5 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.0 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 111.083 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.31 -45.89 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.83 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.23 -27.2 63.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.873 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.92 -40.76 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 111.135 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.13 -21.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.128 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.44 -38.99 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 75.549999999999997 110.915 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -85.42 -35.13 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.430000000000007 111.126 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -74.27 -38.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.845 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.36 -27.43 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 64.409999999999997 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -70.29 -36.31 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.84 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.77 -34.43 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.349999999999994 110.861 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -56.51 -42.1 77.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.010000000000005 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.895 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.811 0.339 . . . . 75.400000000000006 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -77.06 -41.89 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 73.109999999999999 110.923 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 -40.05 83.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.838 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 35.9 m120 -81.19 -19.08 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.854 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.7 -38.97 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.0 m80 -57.45 -56.76 30.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.707 . . . . 73.209999999999994 110.854 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.77 -23.99 30.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 72.310000000000002 112.338 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.77 -23.7 36.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.873 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.85 90.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 61.240000000000002 111.126 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.519999999999996 111.122 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.6 -45.56 89.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.21 -27.07 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.74 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 111.167 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.3 t -71.14 -21.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.120000000000005 111.144 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -39.15 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 70.239999999999995 110.861 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.44 -35.01 21.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 110.881 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.27 89.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.091 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 64.239999999999995 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.6 -27.08 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -70.63 -36.26 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.239999999999995 110.834 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.66 -34.61 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.219999999999999 110.867 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttp85 -56.63 -41.98 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -57.98 -28.27 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -82.25 -39.84 22.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 64.049999999999997 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.019999999999996 111.164 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.785 0.326 . . . . 75.25 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -76.91 -41.94 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.891 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.03 -40.06 83.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 9.5 m120 -81.21 -19.01 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 71.519999999999996 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -65.72 -38.93 90.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.551 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m80 -57.48 -56.8 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 71.010000000000005 110.819 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.73 -24.0 30.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 75.230000000000004 112.35 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.74 -23.72 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.871 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.83 90.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 64.409999999999997 111.075 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.07 97.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 63.039999999999999 111.094 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.73 -45.46 89.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 75.349999999999994 110.874 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -27.02 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 75.200000000000003 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.71 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.450000000000003 111.103 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.12 -21.25 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 111.155 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -39.08 25.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.299999999999997 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.230000000000004 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.26 88.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 64.049999999999997 111.121 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.72 -38.34 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.907 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.67 -27.05 45.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 75.230000000000004 110.913 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.64 -36.22 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.69 -34.65 24.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.81 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -56.55 -42.02 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -28.31 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 72.150000000000006 110.882 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -82.17 -39.87 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 75.439999999999998 110.917 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.152 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.787 0.327 . . . . 75.230000000000004 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -76.99 -41.9 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 110.873 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m -59.09 -40.01 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.812 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.4 m-20 -81.21 -18.96 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.72 -39.01 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.0 m80 -57.4 -56.81 30.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 73.329999999999998 110.839 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.78 -24.01 30.05 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 75.219999999999999 112.343 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.73 -23.66 36.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.908 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.94 90.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.450000000000003 111.137 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.400000000000006 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.71 -45.48 89.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.23 -27.1 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.19 -40.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.8 t -71.14 -21.25 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 64.540000000000006 111.146 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -39.14 25.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 64.109999999999999 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.6 m -85.5 -35.0 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.540000000000006 110.852 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.28 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.7 -38.38 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.55 -27.15 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.099999999999994 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -70.6 -36.2 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.010000000000005 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.340000000000003 110.845 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -56.56 -42.09 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -57.88 -28.47 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.519999999999996 110.909 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -82.36 -39.8 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 110.873 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.019999999999996 111.123 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 72.530000000000001 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -76.92 -41.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.030000000000001 110.85 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.09 -39.99 83.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 72.519999999999996 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 34.7 m120 -81.22 -18.98 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.329999999999998 110.912 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.891 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.547 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m80 -57.41 -56.75 30.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.61 0.719 . . . . 74.400000000000006 110.888 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.77 -24.03 30.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 70.030000000000001 112.339 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.71 -23.72 36.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 72.450000000000003 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.92 90.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.329999999999998 111.054 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 111.116 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.66 -45.5 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 61.32 110.85 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.18 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 72.420000000000002 110.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 71.310000000000002 111.104 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.1 -21.33 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.530000000000001 111.115 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.915 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.38 -35.11 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.904 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.26 89.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -73.69 -38.37 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.857 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.61 -27.1 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.55 -36.29 73.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 75.120000000000005 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.68 -34.61 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 71.420000000000002 110.847 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -56.53 -42.02 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.9 -28.51 64.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.319999999999993 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -82.32 -39.82 22.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.127 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.812 0.339 . . . . 74.219999999999999 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -76.87 -41.89 42.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.885 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.01 -40.0 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.439999999999998 110.868 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.6 m120 -81.23 -19.06 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 60.100000000000001 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -65.72 -38.99 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.889 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.543 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m170 -57.43 -56.81 30.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 74.120000000000005 110.824 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.72 -24.04 30.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 73.319999999999993 112.332 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.74 -23.71 36.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 65.140000000000001 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.9 90.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.209999999999994 111.153 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.13 97.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.115 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.19 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 110.851 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.78 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 65.439999999999998 111.138 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.08 -21.27 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 111.163 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -39.18 25.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.310000000000002 110.837 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -85.43 -35.0 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.409999999999997 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.31 89.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 63.030000000000001 111.135 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -73.95 -38.47 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.16 -27.39 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.91 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.06 -36.28 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.873 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.26 -33.46 24.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.838 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp85 -55.32 -42.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.349999999999994 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -57.73 -29.01 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.847 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -82.31 -39.62 22.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.329999999999998 110.88 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.340000000000003 111.12 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 70.329999999999998 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -76.96 -41.91 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.863 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.98 83.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 70.439999999999998 110.861 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 29.4 m120 -81.23 -18.97 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.310000000000002 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -65.77 -38.98 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.541 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m-70 -57.42 -56.77 30.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 72.25 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.1 Cg_endo -69.77 -24.08 30.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 72.299999999999997 112.286 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -81.74 -23.66 36.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.310000000000002 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.86 90.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 111.133 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.16 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.019999999999996 111.107 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.64 -45.56 89.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.349999999999994 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.16 -27.08 63.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.75 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.319999999999993 111.133 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.09 -21.32 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.319999999999993 111.124 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.46 -35.12 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.57 89.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 111.082 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.21 -39.11 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.319999999999993 110.902 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.82 -27.55 55.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 63.140000000000001 110.887 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -71.11 -35.21 71.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.010000000000005 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.69 -35.87 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 110.86 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.96 -41.82 83.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 63.030000000000001 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -27.64 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.905 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -82.25 -39.85 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.876 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 111.132 -179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.789 0.328 . . . . 75.140000000000001 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -76.82 -41.81 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.12 -40.02 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 33.1 m120 -81.2 -18.98 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 74.120000000000005 110.861 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.73 -39.01 90.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 110.837 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.55 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.7 m80 -57.45 -56.71 31.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 71.109999999999999 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.5 Cg_endo -69.77 -24.01 30.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.209999999999994 112.361 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.72 -23.69 36.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 71.030000000000001 110.954 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.88 90.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 111.105 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.08 97.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 50.119999999999997 111.101 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.72 -45.49 89.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 64.329999999999998 110.872 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.2 -27.1 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.109999999999999 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.28 -40.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.129999999999995 111.14 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.16 -21.25 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 111.115 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -39.11 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 110.842 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.49 -34.99 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 61.539999999999999 110.904 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.65 -38.37 65.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -78.62 -27.09 45.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 75.329999999999998 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -70.68 -36.17 73.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 110.83 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.57 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.310000000000002 110.892 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.62 -42.0 78.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 73.420000000000002 110.831 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -28.45 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.420000000000002 110.853 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -82.32 -39.78 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 64.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 75.439999999999998 111.123 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 75.109999999999999 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -77.07 -41.84 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 75.109999999999999 110.873 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.07 -39.94 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.400000000000006 110.882 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 36.2 m120 -81.22 -19.05 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.319999999999993 110.883 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.67 -38.98 90.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.0 m80 -57.5 -56.75 30.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 73.030000000000001 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.78 -23.91 30.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 74.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.58 -24.58 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.219999999999999 110.924 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.52 92.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 111.084 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.05 97.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.310000000000002 111.064 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.25 -45.88 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.540000000000006 110.855 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.24 -27.21 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 64.519999999999996 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.87 -40.77 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.01 -21.33 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 111.172 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -39.1 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 74.540000000000006 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.43 -35.19 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 64.25 110.87 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 111.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.24 -39.11 63.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 74.010000000000005 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -76.86 -27.46 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 74.519999999999996 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -71.24 -35.13 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -82.72 -35.87 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -57.88 -41.93 83.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -27.76 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.882 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -82.29 -39.81 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.140000000000001 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 111.177 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 72.25 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -41.93 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 72.239999999999995 110.895 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -59.11 -40.0 83.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 m-20 -81.19 -19.01 44.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 62.039999999999999 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.74 -39.03 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.030000000000001 110.86 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 11.5 m-70 -57.39 -56.79 30.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 74.310000000000002 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.79 -23.96 30.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 72.200000000000003 112.369 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.75 -23.65 36.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 72.239999999999995 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.91 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 111.041 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.15 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 111.076 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.67 -45.49 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.21 -27.01 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 70.239999999999995 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.29 -40.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 111.094 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.4 t -71.14 -21.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.146 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -39.16 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.200000000000003 110.875 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.2 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 71.109999999999999 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.63 89.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 63.310000000000002 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -74.22 -39.03 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.93 -27.49 54.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.902 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -71.31 -35.08 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 63.399999999999999 110.874 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -82.75 -35.8 26.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.844 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.420000000000002 110.848 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -58.45 -26.01 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.010000000000005 110.84 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.83 -38.67 25.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 111.151 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 71.340000000000003 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -77.11 -41.85 40.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 75.400000000000006 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.11 -39.99 83.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 m-20 -81.15 -19.05 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.902 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -65.65 -39.01 90.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.548 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m170 -57.45 -56.81 30.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.219999999999999 110.859 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.74 -23.92 30.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 72.540000000000006 112.325 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.63 -24.6 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.549999999999997 110.921 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.079 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.0 97.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 72.030000000000001 111.074 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.33 -45.81 89.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.29 -27.14 63.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.878 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.76 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 71.349999999999994 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -71.11 -21.29 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 65.439999999999998 111.105 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.17 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.530000000000001 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.1 m -85.41 -35.01 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.27 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 111.08 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -73.72 -38.35 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.310000000000002 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.64 -27.13 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -70.61 -36.17 73.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.892 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.59 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 61.109999999999999 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -56.56 -41.97 77.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.549999999999997 110.898 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -57.93 -28.5 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 73.400000000000006 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -82.31 -39.87 22.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 72.319999999999993 111.112 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.811 0.339 . . . . 73.25 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -77.09 -41.86 40.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 110.822 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.03 -39.97 83.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 70.109999999999999 110.844 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.7 m-20 -81.25 -19.0 44.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.862 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.73 -38.99 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.55 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m170 -57.47 -56.75 30.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 75.150000000000006 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.73 -23.93 30.36 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.66 2.24 . . . . 74.200000000000003 112.365 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.62 -24.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.926 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.59 92.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.549999999999997 111.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.04 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 71.019999999999996 111.093 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.28 -45.86 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 73.219999999999999 110.845 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.23 -27.2 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.150000000000006 110.85 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.093 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.09 -21.25 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 75.239999999999995 111.138 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -39.03 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.47 -35.08 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 71.030000000000001 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.34 89.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.549999999999997 111.101 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -73.64 -38.37 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.120000000000005 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.69 -27.04 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.230000000000004 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -70.65 -36.21 73.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 70.129999999999995 110.859 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.72 -34.56 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.019999999999996 110.848 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -56.62 -41.94 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.96 -28.51 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.140000000000001 110.833 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -82.28 -39.85 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.209999999999994 110.912 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.151 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.338 . . . . 74.140000000000001 110.913 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -77.04 -41.86 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.11 -39.98 83.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.4 m120 -81.21 -18.97 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.299999999999997 110.893 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.71 -39.0 90.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 13.1 m-70 -57.51 -56.69 31.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.538 0.685 . . . . 73.299999999999997 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.7 Cg_endo -69.78 -23.9 30.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 73.219999999999999 112.34 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.54 -24.68 36.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.439999999999998 110.962 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.56 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.03 97.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.349999999999994 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.28 -45.89 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.15 -27.27 63.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.84 -40.8 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.8 t -71.02 -21.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 62.219999999999999 111.139 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -39.12 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.86 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.41 -35.12 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 65.510000000000005 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.25 88.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 73.049999999999997 111.129 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.409999999999997 110.891 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.67 -27.03 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 72.140000000000001 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -70.72 -36.13 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 70.439999999999998 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.72 -34.61 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 72.200000000000003 110.849 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -42.07 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -57.89 -28.49 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.9 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -82.3 -39.84 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.519999999999996 110.926 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 64.019999999999996 111.131 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.785 0.326 . . . . 74.230000000000004 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -77.15 -41.9 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.835 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.96 -40.03 83.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 70.329999999999998 110.892 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 31.4 m-20 -81.23 -18.97 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 65.420000000000002 110.845 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -65.74 -38.94 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.329999999999998 110.894 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.45 -56.75 30.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 74.010000000000005 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.81 -23.88 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.652 2.235 . . . . 73.209999999999994 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -81.63 -24.56 36.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.129999999999995 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.54 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.076 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.0 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 75.420000000000002 111.131 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.29 -45.86 89.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.843 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.24 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 72.120000000000005 110.854 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 111.086 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -71.1 -21.24 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 75.120000000000005 111.149 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -39.1 25.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m -85.47 -35.06 21.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.36 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.088 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.62 -38.37 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 62.130000000000003 110.881 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.71 -27.02 44.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.64 -36.27 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.836 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.67 -34.58 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -56.59 -42.01 77.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.340000000000003 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -57.95 -28.31 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.019999999999996 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.2 -39.81 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.140000000000001 110.865 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.136 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.779 0.323 . . . . 73.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -77.1 -41.89 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.827 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.97 83.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 110.833 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.447 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 21.8 m120 -81.22 -18.99 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 75.299999999999997 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.67 -39.01 90.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.89 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.542 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.1 m170 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 75.129999999999995 110.856 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 73.150000000000006 112.379 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.68 -24.55 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 75.329999999999998 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 55.43 111.055 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.02 97.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 111.115 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.25 -45.85 89.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.22 -27.27 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.78 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.06 -21.28 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 111.15 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -39.11 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 65.340000000000003 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.3 89.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 111.11 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.826 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -27.37 47.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.109999999999999 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.09 -36.36 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.319999999999993 110.81 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.24 -33.38 24.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 74.310000000000002 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -55.39 -42.73 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.540000000000006 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -57.77 -29.0 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.129999999999995 110.86 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -82.23 -39.69 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.137 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 71.420000000000002 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -76.96 -41.93 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.04 -40.01 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.867 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 59.2 m-20 -81.21 -19.01 44.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.409999999999997 110.878 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.68 -39.02 90.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.551 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.7 m170 -57.48 -56.77 30.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 71.239999999999995 110.844 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 2.271 . . . . 72.430000000000007 112.355 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.63 -24.6 36.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 64.140000000000001 111.114 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.04 97.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 71.209999999999994 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.22 -45.92 89.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.430000000000007 110.817 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.19 -27.23 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.83 -40.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.450000000000003 111.142 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.6 t -71.07 -21.25 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 64.209999999999994 111.153 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -39.02 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.874 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.47 -35.1 21.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.349999999999994 110.838 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.23 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.019999999999996 111.117 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.69 -38.38 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.450000000000003 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.67 -27.09 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.841 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.62 -36.18 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.75 -34.55 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.871 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -56.54 -42.08 77.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.150000000000006 110.904 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -57.89 -28.48 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.400000000000006 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -82.31 -39.87 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 73.319999999999993 110.858 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 111.145 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.751 0.31 . . . . 75.150000000000006 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -77.08 -41.87 40.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.120000000000005 110.877 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -59.02 -40.06 83.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 63.439999999999998 110.858 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 4.9 m120 -81.17 -18.99 44.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.549999999999997 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.68 -39.06 90.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.879 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.43 -56.75 30.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 65.219999999999999 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.77 -24.05 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 74.540000000000006 112.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.67 -23.72 36.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 110.92 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.9 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 111.087 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.05 97.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 73.510000000000005 111.114 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.74 -45.43 89.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.881 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -26.99 63.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.420000000000002 111.089 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.13 -21.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 111.07 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -39.16 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.519999999999996 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -85.45 -35.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.7 -38.33 64.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 73.450000000000003 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.66 -27.09 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.099999999999994 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -70.6 -36.29 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.67 -34.58 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.239999999999995 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -56.46 -42.03 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -57.78 -28.66 64.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.875 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.99 -38.82 24.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.867 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.040000000000006 111.153 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 73.140000000000001 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -42.42 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.837 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -59.5 -40.47 87.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 72.1 m-20 -81.97 -19.12 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 110.84 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.83 -39.01 90.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 75.150000000000006 110.872 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.9 m-70 -57.43 -56.78 30.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 72.319999999999993 110.859 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.687 2.258 . . . . 63.039999999999999 112.353 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.67 -23.75 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.89 90.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.519999999999996 111.087 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.15 97.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 111.122 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.63 -45.52 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.519999999999996 110.857 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.17 -27.09 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 74.230000000000004 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.23 -40.77 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.549999999999997 111.128 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -71.07 -21.26 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 70.420000000000002 111.164 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -39.16 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.400000000000006 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.4 -35.18 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.56 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.019999999999996 111.125 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.27 -39.12 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.83 -27.51 55.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.109999999999999 110.841 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -71.2 -35.18 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.838 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.72 -35.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 64.510000000000005 110.849 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.93 -41.93 83.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 73.420000000000002 110.833 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -27.65 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.869 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -82.29 -39.92 22.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 72.25 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 74.400000000000006 111.188 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.757 0.313 . . . . 74.349999999999994 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.04 -41.9 40.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.99 -40.02 83.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 66.7 m-20 -81.21 -19.04 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.439999999999998 110.855 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.55 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m80 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.696 . . . . 75.200000000000003 110.886 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.8 -23.82 30.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.67 2.247 . . . . 74.450000000000003 112.384 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.65 -24.6 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 75.019999999999996 110.897 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 74.120000000000005 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.0 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.133 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.35 -45.79 89.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.5 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.29 -27.15 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.81 -40.79 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 111.14 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.1 -21.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 111.103 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -39.17 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.79 -34.67 21.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.884 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.58 88.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.409999999999997 111.118 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -70.32 -39.26 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -79.64 -26.8 41.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -71.02 -36.04 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.75 -34.71 24.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 75.25 110.855 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -56.52 -41.99 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 64.510000000000005 110.869 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -57.96 -28.48 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.400000000000006 110.821 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.36 -39.85 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.852 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 64.540000000000006 111.139 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.762 0.315 . . . . 74.519999999999996 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -77.08 -41.84 40.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.1 -39.96 83.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 110.865 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 27.8 m120 -81.22 -18.99 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -65.73 -38.96 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.551 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.2 m170 -57.48 -56.77 30.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 74.200000000000003 110.873 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.78 -23.86 30.21 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 75.109999999999999 112.389 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.61 -24.71 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.907 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.47 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 111.071 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.08 97.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 73.519999999999996 111.102 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -63.32 -45.78 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.838 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.39 -26.98 63.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.549999999999997 110.852 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.42 -40.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.420000000000002 111.117 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.95 -21.7 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.117 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -39.04 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.12 -35.33 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.92 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.34 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 111.122 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.72 -38.36 64.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.62 -27.16 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.409999999999997 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -70.6 -36.2 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.230000000000004 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.71 -34.56 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.150000000000006 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -56.61 -42.02 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -57.92 -28.35 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.872 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -82.19 -39.83 22.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.530000000000001 111.139 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.76 0.315 . . . . 72.519999999999996 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.03 -41.93 40.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.866 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.92 -40.09 83.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.857 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 12.6 m-20 -81.18 -19.04 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 110.876 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.66 -39.02 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 m80 -57.46 -56.79 30.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.717 . . . . 73.319999999999993 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.69 -23.92 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 65.420000000000002 112.403 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.67 -24.58 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.5 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.0 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 111.083 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.31 -45.89 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.83 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.23 -27.2 63.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.873 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.92 -40.76 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 111.135 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.13 -21.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.128 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.44 -38.99 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 75.549999999999997 110.915 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -85.42 -35.13 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.430000000000007 111.126 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -74.27 -38.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.845 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.36 -27.43 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 64.409999999999997 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -70.29 -36.31 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.84 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.77 -34.43 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.349999999999994 110.861 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -56.51 -42.1 77.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.010000000000005 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -28.46 64.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.895 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -82.38 -39.82 22.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.833 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.519999999999996 111.122 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.853 0.358 . . . . 54.32 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 -40.05 83.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.838 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 35.9 m120 -81.19 -19.08 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.854 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.7 -38.97 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.34 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.0 m80 -57.45 -56.76 30.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.707 . . . . 73.21 110.854 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.77 -23.99 30.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 72.3 112.338 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.77 -23.7 36.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.873 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.85 90.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.42 111.126 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.52 111.122 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.6 -45.56 89.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 53.33 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.21 -27.07 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.74 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.167 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.3 t -71.14 -21.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 74.21 111.144 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -39.15 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.861 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.44 -35.01 21.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 51.43 110.881 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.27 89.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.43 111.091 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.24 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.6 -27.08 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -70.63 -36.26 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.834 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.66 -34.61 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.22 110.867 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttp85 -56.63 -41.98 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 62.43 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.898 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 72.24 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.03 -40.06 83.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.22 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 9.5 m120 -81.21 -19.01 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 42.32 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -65.72 -38.93 90.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m80 -57.48 -56.8 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 71.01 110.819 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.73 -24.0 30.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 75.23 112.35 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.72 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.871 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.83 90.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.075 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.76 -44.07 97.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 62.11 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.73 -45.46 89.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.874 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -27.02 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 65.25 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.71 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.45 111.103 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.4 t -71.12 -21.25 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.155 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -39.08 25.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.26 88.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 53.21 111.121 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.72 -38.34 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.907 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.67 -27.05 45.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 75.23 110.913 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.64 -36.22 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.54 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.69 -34.65 24.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.81 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -56.55 -42.02 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 64.21 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 64.55 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m -59.09 -40.01 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.812 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.4 m-20 -81.21 -18.96 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.31 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.72 -39.01 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.0 m80 -57.4 -56.81 30.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 73.33 110.839 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.78 -24.01 30.05 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 64.3 112.343 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.73 -23.66 36.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.908 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.94 90.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 62.41 111.137 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.61 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.4 111.097 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.71 -45.48 89.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.35 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.23 -27.1 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.51 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.19 -40.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.14 -21.25 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 64.23 111.146 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -39.14 25.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 52.21 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.6 m -85.5 -35.0 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 42.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.28 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.4 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.7 -38.38 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.55 -27.15 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 61.32 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -70.6 -36.2 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 70.54 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.845 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -56.56 -42.09 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.909 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.786 0.327 . . . . 72.22 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.09 -39.99 83.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 33.22 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 34.7 m120 -81.22 -18.98 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.912 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.891 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m80 -57.41 -56.75 30.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.61 0.719 . . . . 74.4 110.888 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.77 -24.03 30.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 70.03 112.339 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.71 -23.72 36.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.92 90.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.22 111.054 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 53.12 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.66 -45.5 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 44.53 110.85 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.18 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 71.31 111.104 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.1 -21.33 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 61.52 111.115 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.915 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.38 -35.11 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 55.4 110.904 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.26 89.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 62.31 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -73.69 -38.37 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.857 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.61 -27.1 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.3 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.55 -36.29 73.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 75.12 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.68 -34.61 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 55.13 110.847 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -56.53 -42.02 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.893 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.768 0.318 . . . . 74.43 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.01 -40.0 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 60.11 110.868 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.6 m120 -81.23 -19.06 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 60.1 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -65.72 -38.99 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.889 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.558 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m170 -57.43 -56.81 30.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 74.12 110.824 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.72 -24.04 30.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 73.32 112.332 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.71 36.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 65.14 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.9 90.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 62.33 111.153 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.13 97.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.1 111.115 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.03 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.19 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.851 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.78 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.138 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.08 -21.27 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.23 111.163 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -39.18 25.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.837 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -85.43 -35.0 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.31 89.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 44.33 111.135 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -73.95 -38.47 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.16 -27.39 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.3 110.91 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.06 -36.28 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.873 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.26 -33.46 24.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp85 -55.32 -42.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.35 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 64.34 110.847 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.834 0.349 . . . . 70.42 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.98 83.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 52.41 110.861 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.439 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 29.4 m120 -81.23 -18.97 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -65.77 -38.98 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.556 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m-70 -57.42 -56.77 30.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 72.25 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.1 Cg_endo -69.77 -24.08 30.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 72.3 112.286 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -81.74 -23.66 36.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.03 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.86 90.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.42 111.133 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.64 -44.16 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.02 111.107 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.64 -45.56 89.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.35 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.16 -27.08 63.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 61.02 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.75 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.32 111.133 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.09 -21.32 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.32 111.124 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.46 -35.12 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 51.02 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.57 89.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.23 111.082 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.21 -39.11 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.902 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.82 -27.55 55.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 53.13 110.887 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -71.11 -35.21 71.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 61.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.69 -35.87 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.86 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.96 -41.82 83.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 63.03 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.905 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 75.34 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.12 -40.02 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.84 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.43 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 33.1 m120 -81.2 -18.98 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 74.12 110.861 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.73 -39.01 90.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 64.34 110.837 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.7 m80 -57.45 -56.71 31.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 64.32 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.5 Cg_endo -69.77 -24.01 30.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.21 112.361 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.72 -23.69 36.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 62.42 110.954 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.88 90.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.105 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.73 -44.08 97.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 41.41 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.72 -45.49 89.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.872 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.2 -27.1 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.11 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.28 -40.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.13 111.14 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.7 t -71.16 -21.25 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.13 111.115 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -39.11 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 70.01 110.842 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.49 -34.99 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 54.4 110.904 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 71.04 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.65 -38.37 65.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -78.62 -27.09 45.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 44.43 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -70.68 -36.17 73.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.83 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.57 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.23 110.892 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.62 -42.0 78.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.831 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.42 110.853 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.809 0.337 . . . . 75.11 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.07 -39.94 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.882 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 36.2 m120 -81.22 -19.05 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.03 110.883 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.67 -38.98 90.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.0 m80 -57.5 -56.75 30.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 73.03 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.78 -23.91 30.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 74.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.58 -24.58 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 72.22 110.924 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.52 92.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 55.35 111.084 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.96 -44.05 97.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.31 111.064 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.25 -45.88 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.31 110.855 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.21 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 64.52 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.87 -40.77 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ALA . 84.3 t -71.01 -21.33 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.23 111.172 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -39.1 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.43 -35.19 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.87 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.12 111.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.24 -39.11 63.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 74.01 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -76.86 -27.46 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -71.24 -35.13 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -82.72 -35.87 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -57.88 -41.93 83.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.882 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 71.34 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -59.11 -40.0 83.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.45 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 m-20 -81.19 -19.01 44.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 62.04 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.74 -39.03 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 70.43 110.86 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 11.5 m-70 -57.39 -56.79 30.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 71.34 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.79 -23.96 30.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 64.4 112.369 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.75 -23.65 36.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 62.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.91 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.041 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.68 -44.15 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 45.34 111.076 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.67 -45.49 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.21 -27.01 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 70.24 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.29 -40.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.35 111.094 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.4 t -71.14 -21.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -39.16 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.875 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.2 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 55.22 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.63 89.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 62.34 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -74.22 -39.03 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.93 -27.49 54.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.902 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -71.31 -35.08 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 63.11 110.874 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -82.75 -35.8 26.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.844 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 70.54 110.848 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.05 110.84 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.339 . . . . 70.41 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.11 -39.99 83.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 m-20 -81.15 -19.05 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.902 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -65.65 -39.01 90.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.24 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m170 -57.45 -56.81 30.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.22 110.859 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.74 -23.92 30.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 55.32 112.325 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.55 110.921 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.079 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.99 -44.0 97.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 52.51 111.074 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.33 -45.81 89.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.54 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.14 63.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.878 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.76 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 32.45 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.5 t -71.11 -21.29 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 65.32 111.105 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.17 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.1 m -85.41 -35.01 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.27 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.34 111.08 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -73.72 -38.35 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.05 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.64 -27.13 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -70.61 -36.17 73.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.892 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.59 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 61.11 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -56.56 -41.97 77.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 63.04 110.898 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.856 -179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.76 0.314 . . . . 74.24 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.03 -39.97 83.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 51.23 110.844 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.7 m-20 -81.25 -19.0 44.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.862 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.73 -38.99 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 63.31 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m170 -57.47 -56.75 30.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 72.45 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.73 -23.93 30.36 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.66 2.24 . . . . 74.2 112.365 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.604 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.62 -24.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.54 110.926 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.59 92.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.55 111.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.04 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 34.31 111.093 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.28 -45.86 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 73.22 110.845 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.093 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.9 t -71.09 -21.25 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 75.24 111.138 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -39.03 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.47 -35.08 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.34 89.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.43 111.101 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -73.64 -38.37 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.12 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.69 -27.04 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -70.65 -36.21 73.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 70.13 110.859 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.72 -34.56 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.02 110.848 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -56.62 -41.94 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.833 -179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 74.35 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.11 -39.98 83.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.4 m120 -81.21 -18.97 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.3 110.893 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.71 -39.0 90.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 13.1 m-70 -57.51 -56.69 31.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.538 0.685 . . . . 73.3 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.7 Cg_endo -69.78 -23.9 30.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 73.22 112.34 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.604 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.54 -24.68 36.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.962 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.56 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.03 97.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.143 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.28 -45.89 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 35.51 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.15 -27.27 63.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.891 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.84 -40.8 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.11 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.02 -21.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 42.14 111.139 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -39.12 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.86 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.41 -35.12 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 54.22 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.25 88.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 73.05 111.129 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.891 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.67 -27.03 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -70.72 -36.13 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 70.44 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.72 -34.61 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 72.11 110.849 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -42.07 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 62.54 110.9 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 74.32 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.96 -40.03 83.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 51.01 110.892 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 31.4 m-20 -81.23 -18.97 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 64.41 110.845 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -65.74 -38.94 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.894 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.45 -56.75 30.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 74.01 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.81 -23.88 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.652 2.235 . . . . 73.21 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 8' ' ' LEU . 3.0 tm? -81.63 -24.56 36.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.54 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.076 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.0 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 75.42 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.29 -45.86 89.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.843 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 53.44 111.086 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.2 t -71.1 -21.24 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 73.22 111.149 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -39.1 25.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m -85.47 -35.06 21.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.36 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.088 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.62 -38.37 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 43.3 110.881 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.71 -27.02 44.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.64 -36.27 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 62.44 110.836 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.67 -34.58 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -56.59 -42.01 77.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.87 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 73.1 110.827 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.97 83.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.833 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 21.8 m120 -81.22 -18.99 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 74.02 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.67 -39.01 90.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.89 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.557 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.1 m170 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 75.13 110.856 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 71.24 112.379 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.68 -24.55 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 52.45 111.055 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.02 97.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.32 111.115 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.25 -45.85 89.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.22 -27.27 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.84 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.78 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.06 -21.28 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.23 111.15 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -39.11 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.43 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.3 89.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.11 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.826 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -27.37 47.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.11 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.09 -36.36 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.81 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.24 -33.38 24.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 74.31 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -55.39 -42.73 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.54 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.86 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.876 0.369 . . . . 71.41 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.04 -40.01 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.13 110.867 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 59.2 m-20 -81.21 -19.01 44.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.41 110.878 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.68 -39.02 90.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.7 m170 -57.48 -56.77 30.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 71.24 110.844 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 2.271 . . . . 70.21 112.355 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 62.01 111.114 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.04 97.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 54.22 111.129 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.22 -45.92 89.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 51.55 110.817 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.19 -27.23 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.875 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.83 -40.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.24 111.142 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.6 t -71.07 -21.25 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 61.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -39.02 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.874 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.47 -35.1 21.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.838 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.23 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.3 111.117 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.69 -38.38 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 61.14 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.67 -27.09 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.841 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.62 -36.18 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.75 -34.55 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 54.51 110.871 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -56.54 -42.08 77.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.904 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.4 110.869 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.817 0.342 . . . . 74.12 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -59.02 -40.06 83.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.1 110.858 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 4.9 m120 -81.17 -18.99 44.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.55 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.68 -39.06 90.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.56 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.43 -56.75 30.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 53.21 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.77 -24.05 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 63.31 112.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.72 36.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.92 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.9 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.087 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.74 -44.05 97.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 73.51 111.114 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.74 -45.43 89.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 60.24 110.881 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -26.99 63.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.42 111.089 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 88.2 t -71.13 -21.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 55.25 111.07 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -39.16 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.52 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -85.45 -35.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.34 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.7 -38.33 64.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 71.32 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.66 -27.09 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -70.6 -36.29 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.67 -34.58 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -56.46 -42.03 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 63.45 110.875 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.855 0.359 . . . . 72.33 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -59.5 -40.47 87.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 60.45 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 72.1 m-20 -81.97 -19.12 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.84 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.83 -39.01 90.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.872 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.9 m-70 -57.43 -56.78 30.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 64.15 110.859 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.687 2.258 . . . . 63.04 112.353 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.75 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.32 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.89 90.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 65.21 111.087 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.15 97.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 72.14 111.122 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.63 -45.52 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.857 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.17 -27.09 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.23 -40.77 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.53 111.128 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.3 t -71.07 -21.26 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 64.31 111.164 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -39.16 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.4 -35.18 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.56 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 54.43 111.125 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.27 -39.12 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.83 -27.51 55.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 43.45 110.841 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -71.2 -35.18 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 54.42 110.838 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.72 -35.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.849 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.93 -41.93 83.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 72.52 110.833 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.869 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.851 0.358 . . . . 74.21 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.99 -40.02 83.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 66.7 m-20 -81.21 -19.04 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 72.12 110.855 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m80 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.696 . . . . 75.2 110.886 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.8 -23.82 30.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.67 2.247 . . . . 64.23 112.384 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.65 -24.6 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.4 110.897 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 74.12 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.0 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.35 -45.79 89.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.15 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.881 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.81 -40.79 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.14 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 82.6 t -71.1 -21.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.51 111.103 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -39.17 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.79 -34.67 21.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.42 110.884 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.58 88.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.21 111.118 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -70.32 -39.26 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -79.64 -26.8 41.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.42 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -71.02 -36.04 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.75 -34.71 24.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.855 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -56.52 -41.99 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 52.24 110.869 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.4 110.821 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 74.42 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.1 -39.96 83.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.13 110.865 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 27.8 m120 -81.22 -18.99 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -65.73 -38.96 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.2 m170 -57.48 -56.77 30.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 74.2 110.873 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.78 -23.86 30.21 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 70.32 112.389 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.61 -24.71 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.907 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.47 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.23 111.071 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.08 97.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 61.13 111.102 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -63.32 -45.78 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.838 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.39 -26.98 63.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.55 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.42 -40.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 41.11 111.117 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 97.4 t -70.95 -21.7 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.117 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -39.04 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.12 -35.33 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.92 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.34 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.122 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.72 -38.36 64.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.62 -27.16 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 64.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -70.6 -36.2 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.14 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.71 -34.56 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.15 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -56.61 -42.02 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 73.04 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.92 -40.09 83.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.857 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 12.6 m-20 -81.18 -19.04 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.876 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.66 -39.02 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.866 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 m80 -57.46 -56.79 30.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.717 . . . . 71.33 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.69 -23.92 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 65.42 112.403 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.67 -24.58 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.54 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.5 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.0 -44.0 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 70.21 111.083 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.31 -45.89 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.83 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.92 -40.76 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.135 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 91.7 t -71.13 -21.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 63.13 111.128 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.44 -38.99 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 75.55 110.915 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -85.42 -35.13 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 43.52 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.14 111.126 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -74.27 -38.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.845 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.36 -27.43 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -70.29 -36.31 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.84 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.77 -34.43 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.35 110.861 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -56.51 -42.1 77.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.895 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.811 0.339 . . . . 65.5 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -77.06 -41.89 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 54.32 110.923 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 -40.05 83.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.838 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 35.9 m120 -81.19 -19.08 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.854 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.7 -38.97 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.34 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.0 m80 -57.45 -56.76 30.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.707 . . . . 73.21 110.854 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.77 -23.99 30.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 72.3 112.338 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.77 -23.7 36.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.873 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.85 90.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.42 111.126 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.52 111.122 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.6 -45.56 89.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 53.33 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.21 -27.07 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.74 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.167 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.3 t -71.14 -21.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 74.21 111.144 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -39.15 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.861 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.44 -35.01 21.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 51.43 110.881 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.27 89.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.43 111.091 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.24 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.6 -27.08 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -70.63 -36.26 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.834 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.66 -34.61 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.22 110.867 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HA ' HG22 ' A' ' 25' ' ' THR . 40.0 ttp85 -56.63 -41.98 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 62.43 110.869 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -57.98 -28.27 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -82.25 -39.84 22.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 64.05 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.02 111.164 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.785 0.326 . . . . 75.02 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -76.91 -41.94 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.891 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.03 -40.06 83.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.22 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 9.5 m120 -81.21 -19.01 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 42.32 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -65.72 -38.93 90.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m80 -57.48 -56.8 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 71.01 110.819 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.73 -24.0 30.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 75.23 112.35 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.72 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.871 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.83 90.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.075 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.76 -44.07 97.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 62.11 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.73 -45.46 89.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.874 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -27.02 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 65.25 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.71 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.45 111.103 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.4 t -71.12 -21.25 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.155 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -39.08 25.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.26 88.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 53.21 111.121 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.72 -38.34 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.907 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.67 -27.05 45.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 75.23 110.913 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.64 -36.22 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.54 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.69 -34.65 24.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.81 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HA ' HG22 ' A' ' 25' ' ' THR . 31.0 ttp180 -56.55 -42.02 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.878 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -28.31 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 64.21 110.882 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -82.17 -39.87 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.917 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.3 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.5 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.787 0.327 . . . . 75.23 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -76.99 -41.9 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.55 110.873 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m -59.09 -40.01 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.812 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.4 m-20 -81.21 -18.96 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.31 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.72 -39.01 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.0 m80 -57.4 -56.81 30.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 73.33 110.839 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.78 -24.01 30.05 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 64.3 112.343 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.73 -23.66 36.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.908 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.94 90.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 62.41 111.137 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.61 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.4 111.097 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.71 -45.48 89.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.35 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.23 -27.1 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.51 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.19 -40.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.14 -21.25 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 64.23 111.146 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -39.14 25.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 52.21 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.6 m -85.5 -35.0 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 42.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.28 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.4 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.7 -38.38 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.55 -27.15 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 61.32 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -70.6 -36.2 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 70.54 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.34 110.845 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.59 ' HA ' HG22 ' A' ' 25' ' ' THR . 27.7 ttp180 -56.56 -42.09 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.855 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -57.88 -28.47 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.909 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -82.36 -39.8 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.873 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.02 111.123 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 62.51 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -76.92 -41.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.85 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.09 -39.99 83.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 33.22 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 34.7 m120 -81.22 -18.98 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.912 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.891 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m80 -57.41 -56.75 30.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.61 0.719 . . . . 74.4 110.888 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.77 -24.03 30.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 70.03 112.339 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.71 -23.72 36.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.92 90.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.22 111.054 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 53.12 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.66 -45.5 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 44.53 110.85 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.18 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 71.31 111.104 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.1 -21.33 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 61.52 111.115 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.915 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.38 -35.11 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 55.4 110.904 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.26 89.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 62.31 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -73.69 -38.37 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.857 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.61 -27.1 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.3 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.55 -36.29 73.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 75.12 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.68 -34.61 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 55.13 110.847 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 25' ' ' THR . 16.2 ttm180 -56.53 -42.02 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.883 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.9 -28.51 64.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -82.32 -39.82 22.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 62.4 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.03 111.127 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.812 0.339 . . . . 74.22 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -76.87 -41.89 42.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.885 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.01 -40.0 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 60.11 110.868 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.6 m120 -81.23 -19.06 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 60.1 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -65.72 -38.99 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.889 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.558 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m170 -57.43 -56.81 30.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 74.12 110.824 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.72 -24.04 30.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 73.32 112.332 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.71 36.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 65.14 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.9 90.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 62.33 111.153 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.13 97.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.1 111.115 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.03 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.19 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.851 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.78 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.138 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.08 -21.27 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.23 111.163 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -39.18 25.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.31 110.837 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -85.43 -35.0 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.31 89.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 44.33 111.135 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -73.95 -38.47 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.16 -27.39 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.3 110.91 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.06 -36.28 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.873 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.26 -33.46 24.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.626 ' HA ' HG22 ' A' ' 25' ' ' THR . 33.2 ttp85 -55.32 -42.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.35 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -57.73 -29.01 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 64.34 110.847 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -82.31 -39.62 22.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.33 110.88 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.12 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 62.54 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -76.96 -41.91 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 70.42 110.863 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.98 83.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 52.41 110.861 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 29.4 m120 -81.23 -18.97 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -65.77 -38.98 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.556 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m-70 -57.42 -56.77 30.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 72.25 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.1 Cg_endo -69.77 -24.08 30.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 72.3 112.286 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -81.74 -23.66 36.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.03 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.86 90.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.42 111.133 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.64 -44.16 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.02 111.107 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.64 -45.56 89.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.35 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.16 -27.08 63.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 61.02 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.75 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.32 111.133 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.09 -21.32 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.32 111.124 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.46 -35.12 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 51.02 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.57 89.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.23 111.082 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.21 -39.11 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.902 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.82 -27.55 55.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 53.13 110.887 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -71.11 -35.21 71.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 61.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.69 -35.87 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.86 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.7 mmt180 -57.96 -41.82 83.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 63.03 110.88 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -27.64 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.905 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -82.25 -39.85 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.876 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.03 111.132 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.789 0.328 . . . . 73.41 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -76.82 -41.81 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.12 -40.02 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.84 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.43 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 33.1 m120 -81.2 -18.98 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 74.12 110.861 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.73 -39.01 90.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 64.34 110.837 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.7 m80 -57.45 -56.71 31.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 64.32 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.5 Cg_endo -69.77 -24.01 30.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.21 112.361 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.72 -23.69 36.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 62.42 110.954 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.88 90.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.105 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.73 -44.08 97.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 41.41 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.72 -45.49 89.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.872 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.2 -27.1 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.11 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.28 -40.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.13 111.14 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.7 t -71.16 -21.25 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.13 111.115 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -39.11 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 70.01 110.842 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.49 -34.99 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 54.4 110.904 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 71.04 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.65 -38.37 65.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -78.62 -27.09 45.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 44.43 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -70.68 -36.17 73.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.83 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.57 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.23 110.892 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 25' ' ' THR . 8.0 ttp180 -56.62 -42.0 78.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.831 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -28.45 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.42 110.853 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -82.32 -39.78 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 64.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 73.23 111.123 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 75.11 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -77.07 -41.84 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 75.11 110.873 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.07 -39.94 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.882 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 36.2 m120 -81.22 -19.05 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.03 110.883 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.67 -38.98 90.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.0 m80 -57.5 -56.75 30.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 73.03 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.78 -23.91 30.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 74.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.58 -24.58 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 72.22 110.924 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.52 92.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 55.35 111.084 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.96 -44.05 97.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.31 111.064 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.25 -45.88 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.31 110.855 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.21 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 64.52 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.87 -40.77 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ALA . 84.3 t -71.01 -21.33 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.23 111.172 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -39.1 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.43 -35.19 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.87 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.12 111.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.24 -39.11 63.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 74.01 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -76.86 -27.46 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -71.24 -35.13 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -82.72 -35.87 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HA ' HG22 ' A' ' 25' ' ' THR . 7.2 mmm180 -57.88 -41.93 83.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -27.76 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.882 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -82.29 -39.81 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.32 111.177 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 72.25 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -41.93 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.895 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -59.11 -40.0 83.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.45 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 m-20 -81.19 -19.01 44.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 62.04 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.74 -39.03 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 70.43 110.86 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 11.5 m-70 -57.39 -56.79 30.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 71.34 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.79 -23.96 30.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 64.4 112.369 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.75 -23.65 36.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 62.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.91 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.041 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.68 -44.15 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 45.34 111.076 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.67 -45.49 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.21 -27.01 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 70.24 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.29 -40.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.35 111.094 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.4 t -71.14 -21.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -39.16 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.875 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.2 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 55.22 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.63 89.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 62.34 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -74.22 -39.03 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.93 -27.49 54.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.902 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -71.31 -35.08 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 63.11 110.874 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -82.75 -35.8 26.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.844 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.662 ' O ' HG22 ' A' ' 25' ' ' THR . 2.2 mmm180 -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 70.54 110.848 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -58.45 -26.01 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.05 110.84 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.83 -38.67 25.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 55.34 111.151 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 61.35 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -77.11 -41.85 40.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.11 -39.99 83.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 m-20 -81.15 -19.05 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.902 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -65.65 -39.01 90.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.24 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m170 -57.45 -56.81 30.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.22 110.859 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.74 -23.92 30.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 55.32 112.325 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.55 110.921 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.079 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.99 -44.0 97.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 52.51 111.074 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.33 -45.81 89.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.54 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.14 63.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.878 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.76 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 32.45 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.5 t -71.11 -21.29 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 65.32 111.105 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.17 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.1 m -85.41 -35.01 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.27 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.34 111.08 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -73.72 -38.35 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.05 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.64 -27.13 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -70.61 -36.17 73.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.892 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.59 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 61.11 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HA ' HG22 ' A' ' 25' ' ' THR . 32.5 ttt180 -56.56 -41.97 77.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 63.04 110.898 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -57.93 -28.5 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -82.31 -39.87 22.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 64.32 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.592 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 64.4 111.112 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.811 0.339 . . . . 73.02 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -77.09 -41.86 40.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.822 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.03 -39.97 83.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 51.23 110.844 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.7 m-20 -81.25 -19.0 44.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.862 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.73 -38.99 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 63.31 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m170 -57.47 -56.75 30.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 72.45 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.73 -23.93 30.36 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.66 2.24 . . . . 74.2 112.365 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.62 -24.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.54 110.926 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.59 92.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.55 111.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.04 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 34.31 111.093 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.28 -45.86 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 73.22 110.845 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.093 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.9 t -71.09 -21.25 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 75.24 111.138 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -39.03 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.47 -35.08 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.34 89.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.43 111.101 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -73.64 -38.37 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.12 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.69 -27.04 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -70.65 -36.21 73.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 70.13 110.859 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.72 -34.56 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.02 110.848 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.591 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.6 ttp85 -56.62 -41.94 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.96 -28.51 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.833 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -82.28 -39.85 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.912 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 63.2 111.151 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.338 . . . . 74.14 110.913 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -77.04 -41.86 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.11 -39.98 83.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.4 m120 -81.21 -18.97 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.3 110.893 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.71 -39.0 90.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 13.1 m-70 -57.51 -56.69 31.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.538 0.685 . . . . 73.3 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.7 Cg_endo -69.78 -23.9 30.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 73.22 112.34 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.54 -24.68 36.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.962 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.56 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.03 97.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.143 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.28 -45.89 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 35.51 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.15 -27.27 63.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.891 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.84 -40.8 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.11 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.02 -21.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 42.14 111.139 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -39.12 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.86 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.41 -35.12 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 54.22 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.25 88.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 73.05 111.129 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.891 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.67 -27.03 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -70.72 -36.13 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 70.44 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.72 -34.61 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 72.11 110.849 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.59 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.49 -42.07 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.88 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -57.89 -28.49 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 62.54 110.9 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -82.3 -39.84 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 52.11 110.926 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 64.02 111.131 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.785 0.326 . . . . 70.23 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -77.15 -41.9 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.835 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.96 -40.03 83.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 51.01 110.892 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 31.4 m-20 -81.23 -18.97 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 64.41 110.845 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -65.74 -38.94 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.894 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.45 -56.75 30.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 74.01 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.81 -23.88 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.652 2.235 . . . . 73.21 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 8' ' ' LEU . 3.0 tm? -81.63 -24.56 36.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.54 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.076 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.0 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 75.42 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.29 -45.86 89.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.843 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 53.44 111.086 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.2 t -71.1 -21.24 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 73.22 111.149 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -39.1 25.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m -85.47 -35.06 21.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.36 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.088 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.62 -38.37 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 43.3 110.881 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.71 -27.02 44.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.64 -36.27 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 62.44 110.836 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.67 -34.58 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.578 ' HA ' HG22 ' A' ' 25' ' ' THR . 35.4 ttt-85 -56.59 -42.01 77.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.909 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -57.95 -28.31 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.2 -39.81 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.865 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.136 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.779 0.323 . . . . 73.31 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -77.1 -41.89 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.827 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.97 83.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.833 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 21.8 m120 -81.22 -18.99 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 74.02 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.67 -39.01 90.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.89 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.1 m170 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 75.13 110.856 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 71.24 112.379 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.68 -24.55 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 52.45 111.055 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.02 97.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.32 111.115 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.25 -45.85 89.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.22 -27.27 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.84 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.78 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.06 -21.28 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.23 111.15 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -39.11 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.43 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.3 89.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.11 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.826 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -27.37 47.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.11 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.09 -36.36 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.81 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.24 -33.38 24.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 74.31 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.62 ' HA ' HG22 ' A' ' 25' ' ' THR . 29.4 ttp180 -55.39 -42.73 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.54 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -57.77 -29.0 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.86 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -82.23 -39.69 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 41.21 111.137 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 71.42 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -76.96 -41.93 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.41 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.04 -40.01 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.13 110.867 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 59.2 m-20 -81.21 -19.01 44.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.41 110.878 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.68 -39.02 90.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.7 m170 -57.48 -56.77 30.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 71.24 110.844 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 2.271 . . . . 70.21 112.355 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 62.01 111.114 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.04 97.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 54.22 111.129 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.22 -45.92 89.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 51.55 110.817 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.19 -27.23 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.875 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.83 -40.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.24 111.142 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.6 t -71.07 -21.25 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 61.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -39.02 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.874 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.47 -35.1 21.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.838 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.23 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.3 111.117 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.69 -38.38 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 61.14 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.67 -27.09 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.841 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.62 -36.18 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.75 -34.55 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 54.51 110.871 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 25' ' ' THR . 8.0 ttt180 -56.54 -42.08 77.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -57.89 -28.48 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.4 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -82.31 -39.87 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 63.41 110.858 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.145 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.751 0.31 . . . . 73.14 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -77.08 -41.87 40.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.877 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -59.02 -40.06 83.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.1 110.858 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 4.9 m120 -81.17 -18.99 44.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.55 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.68 -39.06 90.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.56 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.43 -56.75 30.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 53.21 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.77 -24.05 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 63.31 112.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.72 36.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.92 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.9 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.087 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.74 -44.05 97.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 73.51 111.114 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.74 -45.43 89.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 60.24 110.881 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -26.99 63.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.42 111.089 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 88.2 t -71.13 -21.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 55.25 111.07 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -39.16 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.52 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -85.45 -35.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.34 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.7 -38.33 64.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 71.32 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.66 -27.09 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -70.6 -36.29 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.67 -34.58 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -56.46 -42.03 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -57.78 -28.66 64.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 63.45 110.875 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.99 -38.82 24.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.867 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.04 111.153 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 72.32 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -42.42 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.837 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -59.5 -40.47 87.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 60.45 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 72.1 m-20 -81.97 -19.12 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.84 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.83 -39.01 90.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.872 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.9 m-70 -57.43 -56.78 30.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 64.15 110.859 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.687 2.258 . . . . 63.04 112.353 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.75 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.32 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.89 90.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 65.21 111.087 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.15 97.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 72.14 111.122 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.63 -45.52 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.857 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.17 -27.09 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.23 -40.77 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.53 111.128 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.3 t -71.07 -21.26 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 64.31 111.164 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -39.16 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.4 -35.18 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.56 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 54.43 111.125 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.27 -39.12 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.83 -27.51 55.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 43.45 110.841 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -71.2 -35.18 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 54.42 110.838 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.72 -35.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.849 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' HA ' HG22 ' A' ' 25' ' ' THR . 7.6 mmm180 -57.93 -41.93 83.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 72.52 110.833 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -27.65 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.869 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -82.29 -39.92 22.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 54.02 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 73.13 111.188 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.757 0.313 . . . . 74.35 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.04 -41.9 40.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.99 -40.02 83.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 66.7 m-20 -81.21 -19.04 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 72.12 110.855 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m80 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.696 . . . . 75.2 110.886 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.8 -23.82 30.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.67 2.247 . . . . 64.23 112.384 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.65 -24.6 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.4 110.897 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 74.12 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.0 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.35 -45.79 89.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.15 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.881 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.81 -40.79 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.14 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 82.6 t -71.1 -21.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.51 111.103 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -39.17 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.79 -34.67 21.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.42 110.884 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.58 88.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.21 111.118 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -70.32 -39.26 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -79.64 -26.8 41.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.42 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -71.02 -36.04 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.75 -34.71 24.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.855 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HA ' HG22 ' A' ' 25' ' ' THR . 38.6 ttt-85 -56.52 -41.99 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 52.24 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -57.96 -28.48 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.4 110.821 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.36 -39.85 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.852 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.596 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.139 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.762 0.315 . . . . 64.31 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -77.08 -41.84 40.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.1 -39.96 83.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.13 110.865 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 27.8 m120 -81.22 -18.99 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -65.73 -38.96 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.2 m170 -57.48 -56.77 30.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 74.2 110.873 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.78 -23.86 30.21 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 70.32 112.389 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.61 -24.71 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.907 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.47 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.23 111.071 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.08 97.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 61.13 111.102 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -63.32 -45.78 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.838 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.39 -26.98 63.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.55 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.42 -40.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 41.11 111.117 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 97.4 t -70.95 -21.7 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.117 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -39.04 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.12 -35.33 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.92 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.34 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.122 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.72 -38.36 64.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.62 -27.16 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 64.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -70.6 -36.2 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.14 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.71 -34.56 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.15 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 25' ' ' THR . 22.2 ttp180 -56.61 -42.02 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.866 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -57.92 -28.35 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.872 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -82.19 -39.83 22.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.572 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.139 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.76 0.315 . . . . 63.32 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.03 -41.93 40.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.866 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.92 -40.09 83.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.857 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 12.6 m-20 -81.18 -19.04 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.876 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.66 -39.02 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.866 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 m80 -57.46 -56.79 30.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.717 . . . . 71.33 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.69 -23.92 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 65.42 112.403 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.9 tm? -81.67 -24.58 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.54 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.5 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.0 -44.0 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 70.21 111.083 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.31 -45.89 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.83 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.92 -40.76 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.135 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 91.7 t -71.13 -21.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 63.13 111.128 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.44 -38.99 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 75.55 110.915 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -85.42 -35.13 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 43.52 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.14 111.126 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -74.27 -38.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.845 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.36 -27.43 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -70.29 -36.31 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.84 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.77 -34.43 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.35 110.861 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.3 ttt180 -56.51 -42.1 77.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.859 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -28.46 64.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.895 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -82.38 -39.82 22.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.833 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.54 111.122 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.853 0.358 . . . . 54.32 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 -40.05 83.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.838 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 35.9 m120 -81.19 -19.08 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 61.420000000000002 110.854 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.7 -38.97 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.340000000000003 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.0 m80 -57.45 -56.76 30.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.707 . . . . 73.209999999999994 110.854 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.77 -23.99 30.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 72.299999999999997 112.338 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.77 -23.7 36.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.873 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.85 90.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.420000000000002 111.126 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.519999999999996 111.122 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.6 -45.56 89.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 53.329999999999998 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.21 -27.07 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.74 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 111.167 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.3 t -71.14 -21.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 74.209999999999994 111.144 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -39.15 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.861 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.44 -35.01 21.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 51.43 110.881 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.27 89.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.091 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.6 -27.08 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -70.63 -36.26 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.239999999999995 110.834 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.66 -34.61 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.219999999999999 110.867 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttp85 -56.63 -41.98 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 62.43 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.898 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 72.239999999999995 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.03 -40.06 83.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.219999999999999 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 9.5 m120 -81.21 -19.01 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 42.32 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -65.72 -38.93 90.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.010000000000005 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m80 -57.48 -56.8 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 71.010000000000005 110.819 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.73 -24.0 30.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 75.230000000000004 112.35 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.72 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.871 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.83 90.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 64.409999999999997 111.075 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.76 -44.07 97.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 62.109999999999999 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.73 -45.46 89.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 64.420000000000002 110.874 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -27.02 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 65.25 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.71 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.450000000000003 111.103 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.4 t -71.12 -21.25 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 111.155 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -39.08 25.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.299999999999997 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.230000000000004 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.26 88.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 53.210000000000001 111.121 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.72 -38.34 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 110.907 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.67 -27.05 45.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 75.230000000000004 110.913 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.64 -36.22 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.539999999999999 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.69 -34.65 24.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.81 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -56.55 -42.02 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 64.209999999999994 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 64.549999999999997 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m -59.09 -40.01 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.812 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.4 m-20 -81.21 -18.96 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.310000000000002 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.72 -39.01 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.0 m80 -57.4 -56.81 30.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 73.329999999999998 110.839 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.78 -24.01 30.05 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 64.299999999999997 112.343 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.73 -23.66 36.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.908 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.94 90.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 62.409999999999997 111.137 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.61 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.400000000000006 111.097 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.71 -45.48 89.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.23 -27.1 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.509999999999998 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.19 -40.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.450000000000003 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.14 -21.25 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 64.230000000000004 111.146 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -39.14 25.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 52.210000000000001 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.6 m -85.5 -35.0 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 42.340000000000003 110.852 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.28 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.7 -38.38 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.55 -27.15 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 61.32 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -70.6 -36.2 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 70.540000000000006 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.340000000000003 110.845 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -56.56 -42.09 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.519999999999996 110.909 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.786 0.327 . . . . 72.219999999999999 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.09 -39.99 83.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 33.219999999999999 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 34.7 m120 -81.22 -18.98 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.329999999999998 110.912 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.891 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m80 -57.41 -56.75 30.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.61 0.719 . . . . 74.400000000000006 110.888 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.77 -24.03 30.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 70.030000000000001 112.339 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.71 -23.72 36.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 60.119999999999997 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.92 90.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.219999999999999 111.054 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 53.119999999999997 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.66 -45.5 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 44.530000000000001 110.85 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.18 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 71.310000000000002 111.104 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.1 -21.33 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 61.520000000000003 111.115 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.915 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.38 -35.11 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 55.399999999999999 110.904 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.26 89.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -73.69 -38.37 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.857 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.61 -27.1 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.55 -36.29 73.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 75.120000000000005 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.68 -34.61 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 55.130000000000003 110.847 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -56.53 -42.02 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 62.240000000000002 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.319999999999993 110.893 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.768 0.318 . . . . 74.430000000000007 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.01 -40.0 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 60.109999999999999 110.868 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.6 m120 -81.23 -19.06 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 60.100000000000001 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -65.72 -38.99 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.889 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.558 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m170 -57.43 -56.81 30.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 74.120000000000005 110.824 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.72 -24.04 30.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 73.319999999999993 112.332 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.71 36.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 65.140000000000001 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.9 90.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 62.329999999999998 111.153 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.13 97.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.115 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.19 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 110.851 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.78 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 65.439999999999998 111.138 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.08 -21.27 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 111.163 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -39.18 25.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.310000000000002 110.837 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -85.43 -35.0 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.409999999999997 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.31 89.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 44.329999999999998 111.135 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -73.95 -38.47 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.16 -27.39 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 110.91 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.06 -36.28 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.873 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.26 -33.46 24.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp85 -55.32 -42.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.349999999999994 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 64.340000000000003 110.847 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.834 0.349 . . . . 70.420000000000002 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.98 83.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 52.409999999999997 110.861 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.439 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 29.4 m120 -81.23 -18.97 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.310000000000002 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -65.77 -38.98 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.556 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m-70 -57.42 -56.77 30.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 72.25 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.1 Cg_endo -69.77 -24.08 30.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 72.299999999999997 112.286 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -81.74 -23.66 36.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.030000000000001 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.86 90.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 111.133 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.64 -44.16 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.019999999999996 111.107 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.64 -45.56 89.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.349999999999994 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.16 -27.08 63.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 61.020000000000003 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.75 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.319999999999993 111.133 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.09 -21.32 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.319999999999993 111.124 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.46 -35.12 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 51.020000000000003 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.57 89.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 111.082 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.21 -39.11 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.319999999999993 110.902 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.82 -27.55 55.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 53.130000000000003 110.887 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -71.11 -35.21 71.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 61.450000000000003 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.69 -35.87 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 110.86 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.96 -41.82 83.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 63.030000000000001 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.905 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 75.340000000000003 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.12 -40.02 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.43 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 33.1 m120 -81.2 -18.98 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 74.120000000000005 110.861 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.73 -39.01 90.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 110.837 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.7 m80 -57.45 -56.71 31.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 64.319999999999993 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.5 Cg_endo -69.77 -24.01 30.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.209999999999994 112.361 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.72 -23.69 36.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 62.420000000000002 110.954 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.88 90.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 111.105 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.73 -44.08 97.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 41.409999999999997 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.72 -45.49 89.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 64.329999999999998 110.872 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.2 -27.1 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.109999999999999 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.28 -40.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.129999999999995 111.14 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.7 t -71.16 -21.25 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 111.115 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -39.11 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 70.010000000000005 110.842 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.49 -34.99 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 54.399999999999999 110.904 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 71.040000000000006 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.65 -38.37 65.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -78.62 -27.09 45.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 44.43 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -70.68 -36.17 73.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 110.83 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.57 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.229999999999997 110.892 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.62 -42.0 78.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 71.420000000000002 110.831 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.420000000000002 110.853 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.809 0.337 . . . . 75.109999999999999 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.07 -39.94 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.400000000000006 110.882 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 36.2 m120 -81.22 -19.05 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 110.883 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.67 -38.98 90.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.0 m80 -57.5 -56.75 30.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 73.030000000000001 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.78 -23.91 30.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 74.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.58 -24.58 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 72.219999999999999 110.924 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.52 92.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.084 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.96 -44.05 97.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.310000000000002 111.064 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.25 -45.88 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.310000000000002 110.855 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.21 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 64.519999999999996 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.87 -40.77 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ALA . 84.3 t -71.01 -21.33 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 111.172 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -39.1 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 74.540000000000006 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.43 -35.19 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 62.130000000000003 110.87 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 111.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.24 -39.11 63.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 74.010000000000005 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -76.86 -27.46 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -71.24 -35.13 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -82.72 -35.87 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -57.88 -41.93 83.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.882 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 71.340000000000003 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -59.11 -40.0 83.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 m-20 -81.19 -19.01 44.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 62.039999999999999 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.74 -39.03 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 70.430000000000007 110.86 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 11.5 m-70 -57.39 -56.79 30.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 71.340000000000003 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.79 -23.96 30.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 64.400000000000006 112.369 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.75 -23.65 36.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 62.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.91 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 111.041 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.68 -44.15 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 45.340000000000003 111.076 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.67 -45.49 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.21 -27.01 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 70.239999999999995 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.29 -40.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 111.094 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.4 t -71.14 -21.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.109999999999999 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -39.16 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.875 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.2 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 55.219999999999999 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.63 89.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 62.340000000000003 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -74.22 -39.03 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.93 -27.49 54.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.902 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -71.31 -35.08 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 63.109999999999999 110.874 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -82.75 -35.8 26.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.844 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 70.540000000000006 110.848 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.049999999999997 110.84 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.339 . . . . 70.409999999999997 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.11 -39.99 83.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 m-20 -81.15 -19.05 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.902 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -65.65 -39.01 90.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m170 -57.45 -56.81 30.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.219999999999999 110.859 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.74 -23.92 30.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 55.32 112.325 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.549999999999997 110.921 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.340000000000003 111.079 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.99 -44.0 97.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 52.509999999999998 111.074 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.33 -45.81 89.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.14 63.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 71.120000000000005 110.878 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.76 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 32.450000000000003 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.5 t -71.11 -21.29 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 111.105 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.17 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.1 m -85.41 -35.01 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.27 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.340000000000003 111.08 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -73.72 -38.35 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.049999999999997 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.64 -27.13 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -70.61 -36.17 73.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.892 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.59 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 61.109999999999999 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -56.56 -41.97 77.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 63.039999999999999 110.898 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.019999999999996 110.856 -179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.76 0.314 . . . . 74.239999999999995 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.03 -39.97 83.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 51.229999999999997 110.844 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.7 m-20 -81.25 -19.0 44.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.862 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.73 -38.99 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 63.310000000000002 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m170 -57.47 -56.75 30.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 72.450000000000003 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.73 -23.93 30.36 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.66 2.24 . . . . 74.200000000000003 112.365 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.62 -24.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 110.926 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.59 92.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.549999999999997 111.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.04 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 34.310000000000002 111.093 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.28 -45.86 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 73.219999999999999 110.845 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.093 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.9 t -71.09 -21.25 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 75.239999999999995 111.138 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -39.03 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.47 -35.08 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 71.030000000000001 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.34 89.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 111.101 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -73.64 -38.37 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.120000000000005 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.69 -27.04 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.230000000000004 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -70.65 -36.21 73.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 70.129999999999995 110.859 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.72 -34.56 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.019999999999996 110.848 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -56.62 -41.94 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.140000000000001 110.833 -179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 74.349999999999994 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.11 -39.98 83.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.4 m120 -81.21 -18.97 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.299999999999997 110.893 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.71 -39.0 90.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 13.1 m-70 -57.51 -56.69 31.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.538 0.685 . . . . 73.299999999999997 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.7 Cg_endo -69.78 -23.9 30.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 73.219999999999999 112.34 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.54 -24.68 36.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.962 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.56 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.03 97.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.349999999999994 111.143 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.28 -45.89 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 35.509999999999998 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.15 -27.27 63.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.891 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.84 -40.8 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.109999999999999 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.02 -21.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 42.140000000000001 111.139 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -39.12 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.86 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.41 -35.12 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 54.219999999999999 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.25 88.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 73.049999999999997 111.129 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.409999999999997 110.891 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.67 -27.03 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 65.409999999999997 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -70.72 -36.13 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 70.439999999999998 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.72 -34.61 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 72.109999999999999 110.849 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -42.07 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 62.539999999999999 110.9 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.96 -40.03 83.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 51.009999999999998 110.892 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 31.4 m-20 -81.23 -18.97 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 64.409999999999997 110.845 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -65.74 -38.94 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.329999999999998 110.894 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.45 -56.75 30.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 74.010000000000005 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.81 -23.88 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.652 2.235 . . . . 73.209999999999994 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 8' ' ' LEU . 3.0 tm? -81.63 -24.56 36.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.129999999999995 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.54 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.076 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.0 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 75.420000000000002 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.29 -45.86 89.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.843 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 63.210000000000001 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 111.086 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.2 t -71.1 -21.24 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 73.219999999999999 111.149 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -39.1 25.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 64.209999999999994 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m -85.47 -35.06 21.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.36 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.088 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.62 -38.37 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 43.299999999999997 110.881 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.71 -27.02 44.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.64 -36.27 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 62.439999999999998 110.836 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.67 -34.58 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -56.59 -42.01 77.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.340000000000003 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.019999999999996 110.87 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 110.827 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.97 83.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 110.833 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 21.8 m120 -81.22 -18.99 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 74.019999999999996 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.67 -39.01 90.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.349999999999994 110.89 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.557 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.1 m170 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 75.129999999999995 110.856 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 71.239999999999995 112.379 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.68 -24.55 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 75.329999999999998 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 52.450000000000003 111.055 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.02 97.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.319999999999993 111.115 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.25 -45.85 89.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.329999999999998 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.22 -27.27 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.540000000000006 110.84 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.78 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.06 -21.28 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.230000000000004 111.15 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -39.11 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.43 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.3 89.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 111.11 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.826 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -27.37 47.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.109999999999999 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.09 -36.36 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.319999999999993 110.81 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.24 -33.38 24.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 74.310000000000002 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -55.39 -42.73 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.540000000000006 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.86 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.876 0.369 . . . . 71.409999999999997 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.04 -40.01 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.867 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 59.2 m-20 -81.21 -19.01 44.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.409999999999997 110.878 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.68 -39.02 90.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.7 m170 -57.48 -56.77 30.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 71.239999999999995 110.844 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 2.271 . . . . 70.209999999999994 112.355 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 62.009999999999998 111.114 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.04 97.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 54.219999999999999 111.129 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.22 -45.92 89.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 51.549999999999997 110.817 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.19 -27.23 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.875 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.83 -40.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 111.142 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.6 t -71.07 -21.25 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 61.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -39.02 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.874 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.47 -35.1 21.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.340000000000003 110.838 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.23 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 111.117 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.69 -38.38 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 61.140000000000001 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.67 -27.09 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.841 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.62 -36.18 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.75 -34.55 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 54.509999999999998 110.871 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -56.54 -42.08 77.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.530000000000001 110.904 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.400000000000006 110.869 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.817 0.342 . . . . 74.120000000000005 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -59.02 -40.06 83.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.100000000000001 110.858 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 4.9 m120 -81.17 -18.99 44.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.549999999999997 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.68 -39.06 90.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.879 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.56 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.43 -56.75 30.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 53.210000000000001 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.77 -24.05 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 63.310000000000002 112.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.72 36.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.120000000000005 110.92 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.9 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 111.087 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.74 -44.05 97.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 73.510000000000005 111.114 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.74 -45.43 89.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 60.240000000000002 110.881 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -26.99 63.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.420000000000002 111.089 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 88.2 t -71.13 -21.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 55.25 111.07 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -39.16 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.519999999999996 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -85.45 -35.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.340000000000003 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.7 -38.33 64.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 71.319999999999993 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.66 -27.09 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.099999999999994 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -70.6 -36.29 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.67 -34.58 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -56.46 -42.03 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.875 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.855 0.359 . . . . 72.329999999999998 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -59.5 -40.47 87.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 60.450000000000003 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 72.1 m-20 -81.97 -19.12 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 110.84 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.83 -39.01 90.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 110.872 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.9 m-70 -57.43 -56.78 30.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 64.150000000000006 110.859 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.687 2.258 . . . . 63.039999999999999 112.353 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.75 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.32 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.89 90.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 65.209999999999994 111.087 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.15 97.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 111.122 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.63 -45.52 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.519999999999996 110.857 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.17 -27.09 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 74.230000000000004 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.23 -40.77 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.530000000000001 111.128 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.3 t -71.07 -21.26 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 111.164 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -39.16 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 65.329999999999998 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.4 -35.18 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.150000000000006 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.56 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 54.43 111.125 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.27 -39.12 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.83 -27.51 55.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 43.450000000000003 110.841 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -71.2 -35.18 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 54.420000000000002 110.838 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.72 -35.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.849 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.93 -41.93 83.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 72.519999999999996 110.833 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.869 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.851 0.358 . . . . 74.209999999999994 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.99 -40.02 83.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 66.7 m-20 -81.21 -19.04 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 72.120000000000005 110.855 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m80 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.696 . . . . 75.200000000000003 110.886 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.8 -23.82 30.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.67 2.247 . . . . 64.230000000000004 112.384 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.65 -24.6 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.897 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 74.120000000000005 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.0 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.35 -45.79 89.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.439999999999998 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.15 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 110.881 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.81 -40.79 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.14 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 82.6 t -71.1 -21.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 111.103 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -39.17 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.79 -34.67 21.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 110.884 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.58 88.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 111.118 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -70.32 -39.26 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -79.64 -26.8 41.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -71.02 -36.04 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.75 -34.71 24.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 74.219999999999999 110.855 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -56.52 -41.99 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 52.240000000000002 110.869 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.400000000000006 110.821 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 74.420000000000002 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.1 -39.96 83.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 110.865 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 27.8 m120 -81.22 -18.99 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -65.73 -38.96 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.2 m170 -57.48 -56.77 30.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 74.200000000000003 110.873 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.78 -23.86 30.21 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 70.319999999999993 112.389 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.61 -24.71 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.907 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.47 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 111.071 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.08 97.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 61.130000000000003 111.102 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -63.32 -45.78 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.838 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.39 -26.98 63.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.549999999999997 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.42 -40.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 41.109999999999999 111.117 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 97.4 t -70.95 -21.7 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.117 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -39.04 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.12 -35.33 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.92 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.34 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 111.122 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.72 -38.36 64.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.62 -27.16 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 64.519999999999996 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -70.6 -36.2 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.140000000000001 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.71 -34.56 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.150000000000006 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -56.61 -42.02 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 73.040000000000006 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.92 -40.09 83.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.857 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 12.6 m-20 -81.18 -19.04 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 110.876 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.66 -39.02 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 m80 -57.46 -56.79 30.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.717 . . . . 71.329999999999998 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.69 -23.92 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 65.420000000000002 112.403 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.67 -24.58 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.5 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.0 -44.0 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 70.209999999999994 111.083 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.31 -45.89 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 110.83 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.92 -40.76 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.319999999999993 111.135 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 91.7 t -71.13 -21.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 63.130000000000003 111.128 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.44 -38.99 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 75.549999999999997 110.915 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -85.42 -35.13 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 43.520000000000003 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.140000000000001 111.126 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -74.27 -38.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.845 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.36 -27.43 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 64.409999999999997 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -70.29 -36.31 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.84 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.77 -34.43 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.349999999999994 110.861 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -56.51 -42.1 77.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 71.299999999999997 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.895 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.811 0.339 . . . . 65.5 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -77.06 -41.89 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 54.32 110.923 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 -40.05 83.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.838 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 35.9 m120 -81.19 -19.08 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 61.420000000000002 110.854 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -65.7 -38.97 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.340000000000003 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.0 m80 -57.45 -56.76 30.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.707 . . . . 73.209999999999994 110.854 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.77 -23.99 30.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 72.299999999999997 112.338 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.77 -23.7 36.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.873 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.85 90.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.420000000000002 111.126 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.519999999999996 111.122 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.6 -45.56 89.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 53.329999999999998 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.21 -27.07 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.74 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 111.167 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.3 t -71.14 -21.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 74.209999999999994 111.144 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -39.15 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.861 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.44 -35.01 21.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 51.43 110.881 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.27 89.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.091 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.6 -27.08 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -70.63 -36.26 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.239999999999995 110.834 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.66 -34.61 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.219999999999999 110.867 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HA ' HG22 ' A' ' 25' ' ' THR . 40.0 ttp85 -56.63 -41.98 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 62.43 110.869 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -57.98 -28.27 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -82.25 -39.84 22.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 64.049999999999997 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.019999999999996 111.164 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.785 0.326 . . . . 75.019999999999996 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -76.91 -41.94 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.891 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.03 -40.06 83.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 62.219999999999999 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 9.5 m120 -81.21 -19.01 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 42.32 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -65.72 -38.93 90.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.010000000000005 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m80 -57.48 -56.8 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 71.010000000000005 110.819 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.73 -24.0 30.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 75.230000000000004 112.35 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.72 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.871 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.83 90.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 64.409999999999997 111.075 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.76 -44.07 97.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 62.109999999999999 111.094 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.73 -45.46 89.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 64.420000000000002 110.874 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -27.02 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 65.25 110.864 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.71 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.450000000000003 111.103 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.4 t -71.12 -21.25 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 111.155 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -39.08 25.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.299999999999997 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.230000000000004 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.26 88.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 53.210000000000001 111.121 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.72 -38.34 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 110.907 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -78.67 -27.05 45.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 75.230000000000004 110.913 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.64 -36.22 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.539999999999999 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.69 -34.65 24.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.81 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HA ' HG22 ' A' ' 25' ' ' THR . 31.0 ttp180 -56.55 -42.02 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.878 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -28.31 64.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 64.209999999999994 110.882 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -82.17 -39.87 22.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 75.439999999999998 110.917 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.3 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.5 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.787 0.327 . . . . 75.230000000000004 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -76.99 -41.9 41.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.549999999999997 110.873 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m -59.09 -40.01 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.812 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.4 m-20 -81.21 -18.96 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.310000000000002 110.877 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.72 -39.01 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.0 m80 -57.4 -56.81 30.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 73.329999999999998 110.839 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.78 -24.01 30.05 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 64.299999999999997 112.343 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.73 -23.66 36.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.908 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.94 90.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 62.409999999999997 111.137 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.61 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.400000000000006 111.097 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.71 -45.48 89.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.23 -27.1 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.509999999999998 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.19 -40.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.450000000000003 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.14 -21.25 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 64.230000000000004 111.146 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -39.14 25.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 52.210000000000001 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.6 m -85.5 -35.0 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 42.340000000000003 110.852 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.28 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.7 -38.38 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.55 -27.15 45.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 61.32 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -70.6 -36.2 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 70.540000000000006 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.58 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 71.340000000000003 110.845 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.59 ' HA ' HG22 ' A' ' 25' ' ' THR . 27.7 ttp180 -56.56 -42.09 77.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.855 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -57.88 -28.47 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.519999999999996 110.909 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -82.36 -39.8 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 110.873 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.019999999999996 111.123 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 62.509999999999998 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -76.92 -41.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.219999999999999 110.85 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.09 -39.99 83.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 33.219999999999999 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 34.7 m120 -81.22 -18.98 44.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.329999999999998 110.912 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.891 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m80 -57.41 -56.75 30.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.61 0.719 . . . . 74.400000000000006 110.888 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.77 -24.03 30.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 70.030000000000001 112.339 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.71 -23.72 36.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 60.119999999999997 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.92 90.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.219999999999999 111.054 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 53.119999999999997 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.66 -45.5 89.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 44.530000000000001 110.85 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.18 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.908 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 71.310000000000002 111.104 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.1 -21.33 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 61.520000000000003 111.115 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.915 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.38 -35.11 21.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 55.399999999999999 110.904 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.26 89.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -73.69 -38.37 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.857 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.61 -27.1 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 110.917 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -70.55 -36.29 73.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 75.120000000000005 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.68 -34.61 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 55.130000000000003 110.847 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 25' ' ' THR . 16.2 ttm180 -56.53 -42.02 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 62.240000000000002 110.883 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.9 -28.51 64.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.319999999999993 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -82.32 -39.82 22.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 62.399999999999999 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.030000000000001 111.127 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.812 0.339 . . . . 74.219999999999999 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -76.87 -41.89 42.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.885 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.01 -40.0 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 60.109999999999999 110.868 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.6 m120 -81.23 -19.06 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 60.100000000000001 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -65.72 -38.99 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.889 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.558 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m170 -57.43 -56.81 30.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.708 . . . . 74.120000000000005 110.824 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.72 -24.04 30.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 73.319999999999993 112.332 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.74 -23.71 36.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 65.140000000000001 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.9 90.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 62.329999999999998 111.153 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.13 97.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.115 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.67 -45.49 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.19 -27.11 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 110.851 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.26 -40.78 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 65.439999999999998 111.138 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.2 t -71.08 -21.27 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 111.163 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -39.18 25.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.310000000000002 110.837 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -85.43 -35.0 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.409999999999997 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.31 89.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 44.329999999999998 111.135 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -73.95 -38.47 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.16 -27.39 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 110.91 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.06 -36.28 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.873 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.26 -33.46 24.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.838 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.626 ' HA ' HG22 ' A' ' 25' ' ' THR . 33.2 ttp85 -55.32 -42.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.349999999999994 110.905 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -57.73 -29.01 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 64.340000000000003 110.847 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -82.31 -39.62 22.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.329999999999998 110.88 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.340000000000003 111.12 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.822 0.344 . . . . 62.539999999999999 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -76.96 -41.91 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.863 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.98 83.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 52.409999999999997 110.861 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 29.4 m120 -81.23 -18.97 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.310000000000002 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -65.77 -38.98 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.556 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m-70 -57.42 -56.77 30.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 72.25 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.1 Cg_endo -69.77 -24.08 30.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 72.299999999999997 112.286 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -81.74 -23.66 36.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.030000000000001 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.86 90.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 111.133 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.64 -44.16 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.019999999999996 111.107 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -63.64 -45.56 89.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 71.349999999999994 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.16 -27.08 63.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 61.020000000000003 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mm -76.23 -40.75 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.319999999999993 111.133 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.09 -21.32 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.319999999999993 111.124 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -39.16 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.46 -35.12 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 51.020000000000003 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.57 89.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 111.082 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.21 -39.11 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 72.319999999999993 110.902 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.82 -27.55 55.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 53.130000000000003 110.887 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -71.11 -35.21 71.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 61.450000000000003 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.69 -35.87 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 110.86 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.7 mmt180 -57.96 -41.82 83.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 63.030000000000001 110.88 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -27.64 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.905 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -82.25 -39.85 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.876 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 111.132 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.789 0.328 . . . . 73.409999999999997 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -76.82 -41.81 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.12 -40.02 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.43 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 33.1 m120 -81.2 -18.98 44.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 74.120000000000005 110.861 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.73 -39.01 90.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 110.837 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.7 m80 -57.45 -56.71 31.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 64.319999999999993 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.5 Cg_endo -69.77 -24.01 30.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.209999999999994 112.361 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.72 -23.69 36.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 62.420000000000002 110.954 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.88 90.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 111.105 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.73 -44.08 97.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 41.409999999999997 111.101 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.72 -45.49 89.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 64.329999999999998 110.872 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.2 -27.1 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.109999999999999 110.893 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.28 -40.7 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.129999999999995 111.14 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.7 t -71.16 -21.25 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 111.115 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -39.11 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 70.010000000000005 110.842 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.49 -34.99 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 54.399999999999999 110.904 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 71.040000000000006 111.119 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.65 -38.37 65.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -78.62 -27.09 45.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 44.43 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -70.68 -36.17 73.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 110.83 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.57 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 61.229999999999997 110.892 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 25' ' ' THR . 8.0 ttp180 -56.62 -42.0 78.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 71.420000000000002 110.831 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -28.45 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.420000000000002 110.853 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -82.32 -39.78 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 64.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 73.230000000000004 111.123 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 75.109999999999999 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -77.07 -41.84 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 75.109999999999999 110.873 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.07 -39.94 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.400000000000006 110.882 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 36.2 m120 -81.22 -19.05 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 110.883 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.67 -38.98 90.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.0 m80 -57.5 -56.75 30.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 73.030000000000001 110.875 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.0 Cg_endo -69.78 -23.91 30.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 74.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.58 -24.58 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 72.219999999999999 110.924 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.52 92.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.084 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.96 -44.05 97.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.310000000000002 111.064 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.25 -45.88 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.310000000000002 110.855 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.21 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 64.519999999999996 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.87 -40.77 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ALA . 84.3 t -71.01 -21.33 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 111.172 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -39.1 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 74.540000000000006 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.43 -35.19 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 62.130000000000003 110.87 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 111.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.24 -39.11 63.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 74.010000000000005 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -76.86 -27.46 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -71.24 -35.13 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -82.72 -35.87 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HA ' HG22 ' A' ' 25' ' ' THR . 7.2 mmm180 -57.88 -41.93 83.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.87 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -27.76 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.882 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -82.29 -39.81 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.319999999999993 111.177 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 72.25 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -41.93 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.895 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -59.11 -40.0 83.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 m-20 -81.19 -19.01 44.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 62.039999999999999 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.74 -39.03 90.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 70.430000000000007 110.86 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 11.5 m-70 -57.39 -56.79 30.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 71.340000000000003 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.79 -23.96 30.08 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 64.400000000000006 112.369 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -81.75 -23.65 36.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 62.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.91 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 111.041 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.68 -44.15 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 45.340000000000003 111.076 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -63.67 -45.49 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.846 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.21 -27.01 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 70.239999999999995 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.29 -40.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 111.094 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.4 t -71.14 -21.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.109999999999999 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.27 -39.16 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.875 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.2 21.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 55.219999999999999 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.63 89.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 62.340000000000003 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -74.22 -39.03 63.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.93 -27.49 54.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.902 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -71.31 -35.08 71.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 63.109999999999999 110.874 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -82.75 -35.8 26.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.844 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.662 ' O ' HG22 ' A' ' 25' ' ' THR . 2.2 mmm180 -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 70.540000000000006 110.848 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -58.45 -26.01 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.049999999999997 110.84 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -81.83 -38.67 25.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 55.340000000000003 111.151 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 61.350000000000001 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -77.11 -41.85 40.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 70.409999999999997 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.11 -39.99 83.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.811 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 m-20 -81.15 -19.05 44.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.230000000000004 110.902 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -65.65 -39.01 90.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.562 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.3 m170 -57.45 -56.81 30.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.219999999999999 110.859 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.8 Cg_endo -69.74 -23.92 30.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 55.32 112.325 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.549999999999997 110.921 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.340000000000003 111.079 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.99 -44.0 97.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 52.509999999999998 111.074 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.33 -45.81 89.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 110.86 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.14 63.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 71.120000000000005 110.878 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.76 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 32.450000000000003 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.5 t -71.11 -21.29 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 111.105 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -39.17 25.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.1 m -85.41 -35.01 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.27 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.340000000000003 111.08 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -73.72 -38.35 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 63.049999999999997 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.64 -27.13 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -70.61 -36.17 73.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.892 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.73 -34.59 24.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 61.109999999999999 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HA ' HG22 ' A' ' 25' ' ' THR . 32.5 ttt180 -56.56 -41.97 77.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 63.039999999999999 110.898 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -57.93 -28.5 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.019999999999996 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -82.31 -39.87 22.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 64.319999999999993 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.592 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 64.400000000000006 111.112 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.811 0.339 . . . . 73.019999999999996 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -77.09 -41.86 40.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 110.822 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.03 -39.97 83.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 51.229999999999997 110.844 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 13.7 m-20 -81.25 -19.0 44.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.862 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.73 -38.99 90.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 63.310000000000002 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 m170 -57.47 -56.75 30.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 72.450000000000003 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.73 -23.93 30.36 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.66 2.24 . . . . 74.200000000000003 112.365 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.62 -24.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 110.926 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.59 92.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.549999999999997 111.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.04 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 34.310000000000002 111.093 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.28 -45.86 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 73.219999999999999 110.845 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.093 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.9 t -71.09 -21.25 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 75.239999999999995 111.138 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -39.03 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.91 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.47 -35.08 21.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 71.030000000000001 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.34 89.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 111.101 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -73.64 -38.37 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.120000000000005 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.69 -27.04 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.230000000000004 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -70.65 -36.21 73.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 70.129999999999995 110.859 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.72 -34.56 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.019999999999996 110.848 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.591 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.6 ttp85 -56.62 -41.94 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.872 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -57.96 -28.51 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.140000000000001 110.833 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -82.28 -39.85 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.209999999999994 110.912 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 63.200000000000003 111.151 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.338 . . . . 74.140000000000001 110.913 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -77.04 -41.86 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -59.11 -39.98 83.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 15.4 m120 -81.21 -18.97 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.299999999999997 110.893 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.71 -39.0 90.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 13.1 m-70 -57.51 -56.69 31.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.538 0.685 . . . . 73.299999999999997 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.7 Cg_endo -69.78 -23.9 30.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 73.219999999999999 112.34 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.54 -24.68 36.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.962 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.56 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.03 97.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.349999999999994 111.143 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.28 -45.89 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 35.509999999999998 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.15 -27.27 63.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.891 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.84 -40.8 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.109999999999999 111.127 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.8 t -71.02 -21.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 42.140000000000001 111.139 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -39.12 25.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.86 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.4 m -85.41 -35.12 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 54.219999999999999 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.25 88.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 73.049999999999997 111.129 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.409999999999997 110.891 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.67 -27.03 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 65.409999999999997 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -70.72 -36.13 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 70.439999999999998 110.863 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.72 -34.61 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 72.109999999999999 110.849 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.59 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -56.49 -42.07 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.88 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -57.89 -28.49 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 62.539999999999999 110.9 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -82.3 -39.84 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 52.109999999999999 110.926 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 64.019999999999996 111.131 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.785 0.326 . . . . 70.230000000000004 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -77.15 -41.9 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.835 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.96 -40.03 83.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 51.009999999999998 110.892 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 31.4 m-20 -81.23 -18.97 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.506 . . . . 64.409999999999997 110.845 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -65.74 -38.94 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.329999999999998 110.894 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.45 -56.75 30.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 74.010000000000005 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.4 Cg_endo -69.81 -23.88 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.652 2.235 . . . . 73.209999999999994 112.34 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 8' ' ' LEU . 3.0 tm? -81.63 -24.56 36.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 75.129999999999995 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.54 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.076 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.0 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 75.420000000000002 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.29 -45.86 89.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.843 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.24 -27.19 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 63.210000000000001 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.91 -40.74 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 111.086 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 87.2 t -71.1 -21.24 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 73.219999999999999 111.149 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -39.1 25.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 64.209999999999994 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m -85.47 -35.06 21.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.36 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.088 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.62 -38.37 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 43.299999999999997 110.881 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.71 -27.02 44.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -70.64 -36.27 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 62.439999999999998 110.836 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.67 -34.58 24.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.578 ' HA ' HG22 ' A' ' 25' ' ' THR . 35.4 ttt-85 -56.59 -42.01 77.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.340000000000003 110.909 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -57.95 -28.31 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.019999999999996 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.2 -39.81 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.140000000000001 110.865 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.136 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.779 0.323 . . . . 73.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -77.1 -41.89 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.827 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.04 -39.97 83.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 110.833 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 21.8 m120 -81.22 -18.99 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 74.019999999999996 110.9 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.67 -39.01 90.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.349999999999994 110.89 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.1 m170 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 75.129999999999995 110.856 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 71.239999999999995 112.379 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.68 -24.55 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 75.329999999999998 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 52.450000000000003 111.055 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.02 97.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.319999999999993 111.115 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -63.25 -45.85 89.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.329999999999998 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.22 -27.27 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.540000000000006 110.84 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 mm -75.87 -40.78 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 111.115 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.9 t -71.06 -21.28 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.230000000000004 111.15 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -39.11 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.43 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.5 m -85.42 -35.08 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.3 89.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 111.11 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.97 -38.49 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.826 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -27.37 47.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 65.109999999999999 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.09 -36.36 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.319999999999993 110.81 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -84.24 -33.38 24.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 74.310000000000002 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.62 ' HA ' HG22 ' A' ' 25' ' ' THR . 29.4 ttp180 -55.39 -42.73 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.540000000000006 110.86 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -57.77 -29.0 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.86 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -82.23 -39.69 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 41.210000000000001 111.137 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 71.420000000000002 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -76.96 -41.93 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -59.04 -40.01 83.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.867 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 59.2 m-20 -81.21 -19.01 44.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.409999999999997 110.878 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.68 -39.02 90.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.7 m170 -57.48 -56.77 30.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 71.239999999999995 110.844 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.1 Cg_endo -69.74 -23.9 30.35 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 2.271 . . . . 70.209999999999994 112.355 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.63 -24.6 36.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 62.009999999999998 111.114 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.97 -44.04 97.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 54.219999999999999 111.129 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -63.22 -45.92 89.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 51.549999999999997 110.817 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.19 -27.23 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.875 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.83 -40.8 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 111.142 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 85.6 t -71.07 -21.25 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 61.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.41 -39.02 25.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.874 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.2 m -85.47 -35.1 21.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.340000000000003 110.838 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.23 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 111.117 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -73.69 -38.38 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 61.140000000000001 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.67 -27.09 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.841 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.62 -36.18 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.75 -34.55 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 54.509999999999998 110.871 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 25' ' ' THR . 8.0 ttt180 -56.54 -42.08 77.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.530000000000001 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -57.89 -28.48 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.400000000000006 110.869 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -82.31 -39.87 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 63.409999999999997 110.858 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 111.145 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.751 0.31 . . . . 73.140000000000001 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -77.08 -41.87 40.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.120000000000005 110.877 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -59.02 -40.06 83.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.100000000000001 110.858 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 4.9 m120 -81.17 -18.99 44.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.549999999999997 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.68 -39.06 90.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.879 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.56 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 m80 -57.43 -56.75 30.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 53.210000000000001 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.9 Cg_endo -69.77 -24.05 30.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 63.310000000000002 112.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.72 36.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.120000000000005 110.92 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.9 90.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 111.087 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.74 -44.05 97.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 73.510000000000005 111.114 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.74 -45.43 89.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 60.240000000000002 110.881 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.26 -26.99 63.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.3 -40.76 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.420000000000002 111.089 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 10' ' ' ALA . 88.2 t -71.13 -21.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 55.25 111.07 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -39.16 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.519999999999996 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -85.45 -35.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.340000000000003 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -73.7 -38.33 64.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 71.319999999999993 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.66 -27.09 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.099999999999994 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -70.6 -36.29 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.67 -34.58 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -56.46 -42.03 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.883 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -57.78 -28.66 64.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.875 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.99 -38.82 24.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.240000000000002 110.867 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.040000000000006 111.153 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 72.319999999999993 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -42.42 81.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.837 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -59.5 -40.47 87.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 60.450000000000003 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 72.1 m-20 -81.97 -19.12 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 110.84 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.83 -39.01 90.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 110.872 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.9 m-70 -57.43 -56.78 30.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 64.150000000000006 110.859 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.687 2.258 . . . . 63.039999999999999 112.353 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.3 tt -81.67 -23.75 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 63.32 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.89 90.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 65.209999999999994 111.087 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.67 -44.15 97.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 111.122 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -63.63 -45.52 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.519999999999996 110.857 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -71.17 -27.09 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 74.230000000000004 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.23 -40.77 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.530000000000001 111.128 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' ALA . 86.3 t -71.07 -21.26 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 111.164 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -39.16 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 65.329999999999998 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -85.4 -35.18 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.150000000000006 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.56 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 54.43 111.125 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -74.27 -39.12 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.83 -27.51 55.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 43.450000000000003 110.841 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -71.2 -35.18 71.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 54.420000000000002 110.838 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -82.72 -35.86 26.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 63.43 110.849 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' HA ' HG22 ' A' ' 25' ' ' THR . 7.6 mmm180 -57.93 -41.93 83.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 72.519999999999996 110.833 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -27.65 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.5 110.869 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -82.29 -39.92 22.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 54.020000000000003 110.833 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 73.129999999999995 111.188 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.757 0.313 . . . . 74.349999999999994 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.04 -41.9 40.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.867 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.99 -40.02 83.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 66.7 m-20 -81.21 -19.04 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 72.120000000000005 110.855 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.8 m80 -57.47 -56.77 30.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.696 . . . . 75.200000000000003 110.886 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.8 -23.82 30.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.67 2.247 . . . . 64.230000000000004 112.384 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.65 -24.6 36.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.897 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.61 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 74.120000000000005 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -44.0 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.35 -45.79 89.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.439999999999998 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.29 -27.15 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 110.881 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -75.81 -40.79 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.14 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 82.6 t -71.1 -21.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 111.103 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -39.17 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -85.79 -34.67 21.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 110.884 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.58 88.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 111.118 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -70.32 -39.26 74.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -79.64 -26.8 41.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -71.02 -36.04 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -83.75 -34.71 24.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 74.219999999999999 110.855 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HA ' HG22 ' A' ' 25' ' ' THR . 38.6 ttt-85 -56.52 -41.99 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 52.240000000000002 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -57.96 -28.48 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.400000000000006 110.821 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.36 -39.85 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.852 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.596 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 111.139 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.762 0.315 . . . . 64.310000000000002 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -77.08 -41.84 40.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.1 -39.96 83.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 110.865 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 27.8 m120 -81.22 -18.99 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -65.73 -38.96 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.2 m170 -57.48 -56.77 30.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 74.200000000000003 110.873 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 53.6 Cg_endo -69.78 -23.86 30.21 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 70.319999999999993 112.389 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.61 -24.71 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.907 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.47 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 111.071 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.98 -44.08 97.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 61.130000000000003 111.102 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -63.32 -45.78 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.838 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.39 -26.98 63.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.549999999999997 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.42 -40.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 41.109999999999999 111.117 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 10' ' ' ALA . 97.4 t -70.95 -21.7 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.117 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -39.04 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.12 -35.33 21.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.92 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.34 89.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 111.122 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.72 -38.36 64.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.62 -27.16 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 64.519999999999996 110.863 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -70.6 -36.2 73.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.140000000000001 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.71 -34.56 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.150000000000006 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 25' ' ' THR . 22.2 ttp180 -56.61 -42.02 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.866 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -57.92 -28.35 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.872 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -82.19 -39.83 22.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.572 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.139 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.76 0.315 . . . . 63.32 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.03 -41.93 40.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.866 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -58.92 -40.09 83.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.857 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 12.6 m-20 -81.18 -19.04 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.109999999999999 110.876 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.66 -39.02 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.329999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.561 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 m80 -57.46 -56.79 30.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.717 . . . . 71.329999999999998 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 6' ' ' HIS . 54.2 Cg_endo -69.69 -23.92 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 65.420000000000002 112.403 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.9 tm? -81.67 -24.58 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.5 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.0 -44.0 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 70.209999999999994 111.083 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -63.31 -45.89 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 110.83 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' ' 8' ' ' LEU . 3.1 m-85 -71.23 -27.2 63.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -75.92 -40.76 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.319999999999993 111.135 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' ALA . 91.7 t -71.13 -21.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 63.130000000000003 111.128 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -81.44 -38.99 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 75.549999999999997 110.915 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.1 m -85.42 -35.13 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 43.520000000000003 110.886 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.140000000000001 111.126 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -74.27 -38.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.845 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -77.36 -27.43 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 64.409999999999997 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -70.29 -36.31 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.84 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -83.77 -34.43 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.349999999999994 110.861 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.3 ttt180 -56.51 -42.1 77.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 71.299999999999997 110.859 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -28.46 64.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.895 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -82.38 -39.82 22.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.833 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 22' ' ' ARG . 4.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.539999999999999 111.122 -179.892 . . . . . . . . 1 1 . 1 stop_ save_