data_6d37_residue ############################ # Computer software used # ############################ 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 6d37 _Structure_validation_residue.Date_analyzed 2019-03-08 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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.576 0.227 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -66.78 -41.56 87.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.07 92.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.89 -40.02 94.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.452 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -53.3 -43.49 67.58 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.698 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.76 -39.59 91.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.838 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.62 75.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.425 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 CA--C 1.536 0.41 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.577 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.288 0 CA-C-O 120.163 -0.243 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.18 -24.62 72.69 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.762 2.308 . . . . 0.0 112.897 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.8 75.83 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 111.471 0.175 . . . . 0.0 111.471 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.531 0.33 0 CA-C-O 120.545 0.144 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.02 137.33 76.12 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.911 2.407 . . . . 0.0 112.287 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 122.56 2.173 . . . . 0.0 112.549 -179.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.556 0.217 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -64.39 -39.44 93.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.04 95.27 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.005 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.37 87.37 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.529 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.88 -43.64 77.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.45 -36.4 83.78 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.29 75.26 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.686 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.57 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 CA-C-O 120.21 -0.216 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.73 -24.69 68.8 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 122.862 2.375 . . . . 0.0 113.157 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.47 80.62 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.531 0.339 0 N-CA-C 112.608 0.195 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.06 137.83 82.84 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.951 2.434 . . . . 0.0 112.217 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo . . . . . 0 C--N 1.349 0.571 0 C-N-CA 122.703 2.268 . . . . 0.0 112.57 -179.834 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.34 -40.22 95.44 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.0 97.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.888 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -64.68 -36.63 84.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.47 -35.67 80.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -36.04 76.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.64 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.275 0 CA-C-O 119.998 -0.334 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.95 -25.16 74.08 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.67 2.247 . . . . 0.0 113.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.28 83.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 CA--C 1.531 0.326 0 N-CA-C 112.618 0.199 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.68 136.87 76.32 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.002 2.468 . . . . 0.0 112.511 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--N 1.348 0.512 0 C-N-CA 122.794 2.329 . . . . 0.0 112.48 -179.852 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.513 0.197 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -66.45 -41.17 89.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.18 96.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.749 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -37.46 87.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.95 -43.47 77.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.53 -36.42 83.75 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.955 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.8 75.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.71 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.535 0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.538 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.386 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.01 -25.18 73.81 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.799 2.332 . . . . 0.0 112.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.69 78.68 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 112.461 0.139 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.6 138.03 84.18 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.875 2.383 . . . . 0.0 112.315 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.348 0.501 0 C-N-CA 122.596 2.197 . . . . 0.0 112.493 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.486 0.184 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.81 -41.41 97.9 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.14 92.53 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.659 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -39.28 93.73 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.398 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -54.96 -43.58 73.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.58 -38.79 90.52 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.907 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.69 75.83 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.411 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 CA--C 1.535 0.399 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.541 179.684 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.01 -23.92 67.34 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.727 2.284 . . . . 0.0 113.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.3 75.99 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo . . . . . 0 CA--C 1.532 0.4 0 N-CA-C 112.544 0.171 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.64 139.24 89.59 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.877 2.384 . . . . 0.0 112.084 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 C--N 1.349 0.581 0 C-N-CA 122.558 2.172 . . . . 0.0 112.548 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.574 0.226 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.41 -40.59 93.58 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.964 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.51 94.0 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -65.9 -37.99 87.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.421 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -56.24 -42.25 77.03 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.608 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.37 -38.13 86.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.33 74.57 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.602 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.546 179.775 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.345 0 CA-C-O 120.153 -0.249 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.42 -24.47 71.05 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.857 2.371 . . . . 0.0 113.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.0 77.82 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.53 0.325 0 CA-C-O 120.66 0.192 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.83 137.09 79.33 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.948 2.432 . . . . 0.0 112.167 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.349 0.579 0 C-N-CA 122.651 2.234 . . . . 0.0 112.5 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.645 0.26 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -64.58 -40.24 95.18 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.983 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.04 97.01 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.39 90.89 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.445 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -55.52 -43.95 76.22 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.598 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.45 -36.36 83.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.49 78.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.552 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.584 179.742 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 CA-C-O 120.199 -0.223 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.56 -24.35 70.15 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.357 . . . . 0.0 113.061 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.25 78.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 112.561 0.177 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.53 137.74 71.33 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.853 2.369 . . . . 0.0 112.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--N 1.349 0.561 0 C-N-CA 122.682 2.254 . . . . 0.0 112.421 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.27 -39.97 95.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.956 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.44 97.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.825 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -38.01 89.51 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.455 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -55.75 -43.04 76.28 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.1 -38.1 87.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.75 75.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.529 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.58 179.652 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.323 0 CA-C-O 120.161 -0.244 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.56 -24.03 70.26 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.809 2.339 . . . . 0.0 113.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.54 76.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.531 0.374 0 N-CA-C 112.666 0.218 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.82 137.78 82.79 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.927 2.418 . . . . 0.0 112.194 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 C--N 1.348 0.525 0 C-N-CA 122.685 2.256 . . . . 0.0 112.42 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.512 0.196 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.52 -39.89 94.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.947 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.47 97.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.936 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.22 86.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.331 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -57.18 -42.92 82.1 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.78 -33.9 77.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.05 78.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.614 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.638 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.392 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.06 -24.07 66.86 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.05 79.47 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.3 p . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 112.732 0.243 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.83 139.46 88.44 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.986 2.458 . . . . 0.0 112.215 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.349 0.564 0 C-N-CA 122.713 2.275 . . . . 0.0 112.467 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.518 0.199 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.74 -40.41 95.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.255 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.974 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.36 -38.45 91.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.31 -42.86 74.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.88 -38.83 89.83 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.768 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.06 75.38 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.541 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.549 179.641 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.346 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -24.55 73.9 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.715 2.277 . . . . 0.0 112.943 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.21 77.33 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 42.0 Cg_endo . . . . . 0 CA--C 1.531 0.36 0 CA-C-O 120.637 0.182 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.42 139.93 74.12 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.131 2.554 . . . . 0.0 112.451 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo . . . . . 0 C--N 1.348 0.526 0 C-N-CA 122.815 2.344 . . . . 0.0 112.549 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.375 0.131 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.65 -41.78 78.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.844 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.33 97.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.588 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -64.63 -38.54 91.35 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.423 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 46.6 t90 -56.21 -43.62 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.91 -36.76 85.41 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.77 77.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 CA--C 1.534 0.356 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.502 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.336 0 CA-C-O 120.167 -0.241 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -24.76 73.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.833 2.356 . . . . 0.0 112.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.7 79.22 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.531 0.347 0 N-CA-C 112.504 0.155 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.25 137.41 70.63 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.83 2.353 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo . . . . . 0 C--N 1.347 0.482 0 C-N-CA 122.741 2.294 . . . . 0.0 112.352 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.512 0.196 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -64.5 -39.0 92.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.896 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -37.01 86.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -55.8 -43.71 77.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -35.62 81.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.66 78.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.518 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 CA--C 1.535 0.395 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.565 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.12 -23.47 66.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.753 2.302 . . . . 0.0 113.078 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.33 74.16 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.53 0.306 0 CA-C-O 120.655 0.19 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.01 138.21 85.31 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.987 2.458 . . . . 0.0 112.229 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--N 1.348 0.509 0 C-N-CA 122.754 2.303 . . . . 0.0 112.571 -179.76 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.569 0.223 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.8 -40.87 98.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.79 85.89 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.838 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.0 -38.44 90.97 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.607 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -54.97 -44.53 74.48 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.21 -38.26 89.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.979 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.05 75.15 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.548 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 CA--C 1.534 0.341 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.532 179.701 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 CA-C-O 120.11 -0.272 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.98 -24.84 73.96 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.803 2.336 . . . . 0.0 113.025 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.83 -38.48 79.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 N--CA 1.464 0.238 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.531 0.34 0 CA-C-O 120.505 0.127 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.95 144.04 69.68 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.908 2.406 . . . . 0.0 112.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 122.959 2.439 . . . . 0.0 112.704 -179.731 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.512 0.196 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -67.38 -41.18 85.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.15 96.01 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.751 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.44 -37.92 88.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.28 -43.32 74.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.752 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.46 -36.97 85.47 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.86 75.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.693 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.658 179.725 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 N-CA-C 112.356 -0.298 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.09 -25.08 73.2 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.667 2.244 . . . . 0.0 112.909 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.78 79.95 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 CA--C 1.531 0.326 0 CA-C-O 120.504 0.127 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.97 137.14 78.1 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.938 2.425 . . . . 0.0 112.206 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.349 0.577 0 C-N-CA 122.57 2.18 . . . . 0.0 112.328 -179.698 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.483 0.182 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -64.84 -39.99 94.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.963 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.61 97.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.923 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -63.72 -38.18 90.13 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.329 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -56.85 -43.46 81.15 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.752 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.58 -36.8 84.81 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.17 76.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.619 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.467 0.394 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.687 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.289 0 CA-C-O 120.077 -0.291 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 -24.86 74.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.754 2.302 . . . . 0.0 112.856 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.69 80.89 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 CA--C 1.531 0.341 0 CA-C-O 120.564 0.152 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.98 137.89 83.9 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.947 2.432 . . . . 0.0 112.431 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.35 0.62 0 C-N-CA 122.814 2.343 . . . . 0.0 112.354 -179.87 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.518 0.199 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -68.18 -41.91 80.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.9 94.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -65.86 -38.3 88.45 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.474 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 45.3 t90 -55.07 -42.65 73.03 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.771 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.46 -39.17 91.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.67 -34.54 74.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.511 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.706 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.341 0 N-CA-C 112.34 -0.304 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.24 -24.8 76.37 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.748 2.299 . . . . 0.0 112.678 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.51 84.43 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.455 179.865 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 75.3 Cg_exo . . . . . 0 CA--C 1.532 0.399 0 N-CA-C 112.569 0.181 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 10.7 Cg_endo -52.9 135.99 59.13 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.156 2.57 . . . . 0.0 112.36 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.349 0.575 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.467 0.175 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -63.15 -40.99 99.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.084 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.82 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -38.05 89.67 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.381 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -56.89 -44.02 81.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -37.07 86.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.81 76.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.537 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.55 179.703 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.22 -24.65 72.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.728 2.285 . . . . 0.0 113.035 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.84 78.87 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 p . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 CA--C 1.531 0.34 0 N-CA-C 112.641 0.208 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.93 139.82 91.7 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.915 2.41 . . . . 0.0 112.292 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.79 2.326 . . . . 0.0 112.214 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.455 0.169 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.37 -40.74 93.92 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.042 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.42 93.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -38.18 88.42 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.538 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -54.75 -43.31 72.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.18 89.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.4 77.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.334 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.59 179.778 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.334 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.94 -25.14 74.09 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.777 2.318 . . . . 0.0 113.059 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.1 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 CA--C 1.53 0.305 0 CA-C-O 120.629 0.179 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.74 137.32 80.75 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.929 2.419 . . . . 0.0 112.149 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--N 1.349 0.582 0 C-N-CA 122.525 2.15 . . . . 0.0 112.301 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.458 0.17 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.72 -42.19 86.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.951 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.47 94.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.86 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -64.71 -39.2 93.25 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.376 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.412 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.8 t90 -54.77 -43.84 73.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.675 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.36 -39.34 92.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.458 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.552 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.52 0.396 0 N-CA-C 112.358 -0.297 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.74 -24.82 74.74 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.766 2.311 . . . . 0.0 112.925 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.98 76.74 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.531 0.365 0 CA-C-O 120.523 0.135 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.93 137.86 76.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.959 2.44 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 122.59 2.193 . . . . 0.0 112.353 -179.835 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.656 0.265 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.7 -40.18 96.15 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.005 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.57 91.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.808 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -38.86 91.22 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.84 -42.33 75.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.628 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.06 -38.0 87.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.52 76.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.55 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 CA--C 1.536 0.414 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.521 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.304 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.98 -24.64 73.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.786 2.324 . . . . 0.0 112.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.73 75.57 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.465 0.288 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 CA--C 1.531 0.344 0 CA-C-O 120.549 0.145 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.41 144.48 72.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.943 2.429 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--N 1.351 0.677 0 C-N-CA 122.922 2.415 . . . . 0.0 112.624 -179.958 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.553 0.216 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.48 -40.54 95.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.83 97.84 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.915 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.04 -37.92 89.17 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 178.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -56.64 -42.13 78.37 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.87 -36.26 82.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.85 76.52 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.635 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.586 179.751 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.79 -24.34 68.56 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.751 2.3 . . . . 0.0 113.109 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.82 78.01 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.996 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 CA--C 1.531 0.359 0 N-CA-C 112.622 0.201 . . . . 0.0 112.622 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.89 137.7 81.42 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.919 2.413 . . . . 0.0 112.357 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--N 1.348 0.552 0 C-N-CA 122.721 2.281 . . . . 0.0 112.446 -179.834 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.69 -40.45 95.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.0 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.55 96.92 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.809 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -38.58 91.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -55.86 -42.99 76.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 179.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.68 -37.9 87.76 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.24 75.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.536 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.655 179.756 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.326 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.26 -24.47 72.17 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.834 2.356 . . . . 0.0 112.923 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.61 77.95 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 CA--C 1.53 0.298 0 N-CA-C 112.503 0.155 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.93 138.45 86.04 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.991 2.46 . . . . 0.0 112.268 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.348 0.52 0 C-N-CA 122.631 2.221 . . . . 0.0 112.311 179.984 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.618 0.247 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.0 -40.26 95.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.4 92.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.85 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -39.14 93.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.335 178.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -56.14 -43.23 78.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.676 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.55 -35.7 81.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.994 179.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.3 76.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.839 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.84 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.337 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.88 -25.13 74.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.746 2.297 . . . . 0.0 112.853 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.3 82.6 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.526 179.929 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 CA-C-O 120.575 0.156 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.97 140.18 85.7 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.955 2.437 . . . . 0.0 112.471 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--N 1.35 0.652 0 C-N-CA 123.022 2.481 . . . . 0.0 112.565 -179.959 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.557 0.217 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -65.5 -39.89 92.38 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.996 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.28 96.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -65.9 -38.25 88.25 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.45 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -55.48 -41.94 73.69 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.611 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.25 -36.76 83.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.23 76.0 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.742 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.534 0.359 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.525 179.657 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.301 0 CA-C-O 120.194 -0.225 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -24.31 71.87 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.757 2.304 . . . . 0.0 112.967 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.56 74.43 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.971 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 CA--C 1.531 0.332 0 N-CA-C 112.616 0.199 . . . . 0.0 112.616 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.31 136.73 76.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.844 2.362 . . . . 0.0 112.128 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.348 0.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.413 -179.843 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.547 0.213 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -67.81 -40.5 83.85 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.069 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.69 89.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.986 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.93 -36.77 84.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -56.7 -42.52 79.26 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.72 -36.06 82.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.067 179.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.12 73.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.637 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.852 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.322 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.92 -24.51 67.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.859 2.373 . . . . 0.0 113.184 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.62 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.886 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.53 0.321 0 CA-C-O 120.595 0.164 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.4 142.29 97.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.942 2.428 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--N 1.35 0.617 0 C-N-CA 122.873 2.382 . . . . 0.0 112.478 179.894 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.533 0.206 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.08 -40.47 94.68 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.987 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.09 99.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.984 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.68 88.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -54.79 -43.18 72.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.656 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.32 -37.66 87.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.04 76.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.5 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.495 179.658 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.27 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.44 -23.93 71.11 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.767 2.311 . . . . 0.0 112.921 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.12 75.7 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo . . . . . 0 CA--C 1.53 0.298 0 CA-C-O 120.611 0.171 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.71 137.8 82.59 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.878 2.385 . . . . 0.0 112.374 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.348 0.522 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.873 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.423 0.154 . . . . 0.0 111.318 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -69.11 -40.67 78.2 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.56 94.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.808 179.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.4 -36.45 81.33 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -56.71 -41.83 78.1 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.34 -37.42 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.79 74.15 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.599 179.67 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.19 -0.228 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.63 -24.94 69.39 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.799 2.332 . . . . 0.0 113.099 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.16 82.73 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.871 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 112.691 0.227 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.3 136.33 71.51 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.817 2.345 . . . . 0.0 112.207 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--N 1.349 0.597 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.909 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.457 0.17 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -63.83 -40.9 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.928 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.86 96.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.691 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.17 83.18 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 179.02 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.7 -44.18 90.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.591 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.45 -34.67 78.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -36.54 77.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.704 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.642 179.847 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.27 -24.27 72.12 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.815 2.343 . . . . 0.0 112.95 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.73 76.28 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.936 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo . . . . . 0 CA--C 1.532 0.379 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.1 140.75 95.25 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.999 2.466 . . . . 0.0 112.561 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.915 2.41 . . . . 0.0 112.228 179.993 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.622 0.249 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.47 -40.08 85.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.12 97.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.959 179.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -53.26 -43.78 67.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.14 -39.39 92.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.826 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.51 75.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.447 179.625 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.285 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.43 -24.86 70.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.748 2.298 . . . . 0.0 113.016 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.2 76.03 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.967 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 CA--C 1.531 0.344 0 N-CA-C 112.483 0.147 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.44 136.49 75.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.953 2.435 . . . . 0.0 112.415 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--N 1.349 0.565 0 C-N-CA 122.756 2.304 . . . . 0.0 112.523 -179.912 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.493 0.187 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.951 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.86 89.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.81 179.523 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.84 88.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.076 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -56.55 -43.41 79.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.711 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.12 -37.09 86.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.73 75.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.591 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.466 0.325 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.61 179.722 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.344 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.85 -24.18 68.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.815 2.343 . . . . 0.0 112.991 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.98 -40.49 78.79 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.991 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.531 0.336 0 N-CA-C 112.627 0.203 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.28 142.44 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.949 2.433 . . . . 0.0 112.48 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.971 2.448 . . . . 0.0 112.498 179.926 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.51 0.195 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.41 -40.41 89.55 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.005 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.25 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.949 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -38.25 88.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.438 179.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.429 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.1 t90 -55.58 -42.68 75.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.15 -37.47 87.52 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 179.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.09 77.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.609 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.659 179.793 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.334 0 CA-C-O 120.06 -0.3 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.87 -24.49 74.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.784 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.25 76.6 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.742 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 179.931 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.595 0.165 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.43 135.56 70.64 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.888 2.392 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.819 2.346 . . . . 0.0 112.309 179.911 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.504 0.192 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.15 -40.7 94.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.298 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.69 -40.38 83.44 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.058 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.77 -37.67 85.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -54.97 -43.28 73.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.804 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -38.2 89.8 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.025 179.344 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.84 74.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.541 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 CA--C 1.536 0.411 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.525 179.778 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.321 0 CA-C-O 120.141 -0.255 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.37 -24.61 71.32 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.799 2.333 . . . . 0.0 112.981 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.32 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.563 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.893 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 40.5 Cg_endo . . . . . 0 CA--C 1.53 0.299 0 CA-C-O 120.583 0.16 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.1 Cg_endo -55.38 143.29 77.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.945 2.43 . . . . 0.0 112.663 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--N 1.349 0.563 0 C-N-CA 123.063 2.509 . . . . 0.0 112.477 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.26 46.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.576 0.227 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -66.78 -41.56 87.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.07 92.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.89 -40.02 94.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.452 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -53.3 -43.49 67.58 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.698 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.76 -39.59 91.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.838 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.62 75.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.425 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.32 -15.04 61.89 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.577 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.49 -129.95 22.99 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.529 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.18 -24.62 72.69 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.762 2.308 . . . . 0.0 112.897 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.8 75.83 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -65.61 -27.77 68.65 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.471 0.175 . . . . 0.0 111.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.88 127.89 12.68 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.456 2.104 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.02 137.33 76.12 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.911 2.407 . . . . 0.0 112.287 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -74.36 131.63 15.34 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.56 2.173 . . . . 0.0 112.549 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -114.59 -56.51 2.38 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 122.436 -0.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.89 -65.35 0.07 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.556 0.217 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -64.39 -39.44 93.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.04 95.27 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.005 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.37 87.37 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.529 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.88 -43.64 77.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.45 -36.4 83.78 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.29 75.26 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.686 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.19 -15.02 61.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.57 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -131.45 22.8 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.593 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.73 -24.69 68.8 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 122.862 2.375 . . . . 0.0 113.157 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.47 80.62 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p -67.54 -25.03 65.61 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.564 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 55.9 Cg_endo -71.03 127.03 13.07 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.595 2.197 . . . . 0.0 112.608 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.06 137.83 82.84 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.951 2.434 . . . . 0.0 112.217 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.78 149.62 43.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.703 2.268 . . . . 0.0 112.57 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.1 m -119.5 127.93 53.5 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.649 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.261 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.43 -68.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.329 0.393 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.34 -40.22 95.44 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.0 97.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.888 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -64.68 -36.63 84.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.47 -35.67 80.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -36.04 76.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.64 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.69 -14.27 61.12 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.77 -128.37 29.2 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.4 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.95 -25.16 74.08 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.67 2.247 . . . . 0.0 113.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.28 83.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p -69.75 -25.07 63.65 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.8 125.95 12.12 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.59 2.194 . . . . 0.0 112.618 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.68 136.87 76.32 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.002 2.468 . . . . 0.0 112.511 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.53 128.35 9.47 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.794 2.329 . . . . 0.0 112.48 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -147.16 124.83 11.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.715 -0.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.03 61.57 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.028 0.205 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -66.45 -41.17 89.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.18 96.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.749 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -37.46 87.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.95 -43.47 77.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.53 -36.42 83.75 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.955 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.8 75.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.71 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.8 -15.51 61.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.538 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.09 -130.04 21.47 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.436 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.01 -25.18 73.81 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.799 2.332 . . . . 0.0 112.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.69 78.68 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -27.03 67.5 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.59 127.26 12.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.569 2.179 . . . . 0.0 112.461 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.6 138.03 84.18 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.875 2.383 . . . . 0.0 112.315 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.4 135.51 18.45 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.596 2.197 . . . . 0.0 112.493 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -103.29 118.28 36.4 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.619 -0.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.8 -49.12 32.53 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.112 0.258 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.81 -41.41 97.9 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.14 92.53 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.659 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -39.28 93.73 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.398 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -54.96 -43.58 73.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.58 -38.79 90.52 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.907 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.69 75.83 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.411 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -72.52 -15.16 61.78 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.541 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.39 -129.9 31.55 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.522 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.01 -23.92 67.34 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.727 2.284 . . . . 0.0 113.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.3 75.99 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p -71.94 -23.43 61.46 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.2 130.36 13.0 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.552 2.168 . . . . 0.0 112.544 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.64 139.24 89.59 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.877 2.384 . . . . 0.0 112.084 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -74.44 139.02 25.34 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.558 2.172 . . . . 0.0 112.548 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -135.98 115.94 13.22 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.224 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.6 -52.57 14.93 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.574 0.226 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.41 -40.59 93.58 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.964 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.51 94.0 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -65.9 -37.99 87.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.421 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -56.24 -42.25 77.03 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.608 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.37 -38.13 86.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.33 74.57 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.602 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.86 -15.05 61.61 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.546 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.71 -130.0 25.16 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.42 -24.47 71.05 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.857 2.371 . . . . 0.0 113.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.0 77.82 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p -66.7 -26.43 67.02 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 126.95 12.39 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.564 2.176 . . . . 0.0 112.523 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.83 137.09 79.33 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.948 2.432 . . . . 0.0 112.167 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.09 140.81 38.51 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.651 2.234 . . . . 0.0 112.5 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -114.1 62.21 0.66 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.729 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.564 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.38 62.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.645 0.26 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -64.58 -40.24 95.18 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.983 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.04 97.01 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.39 90.89 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.445 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -55.52 -43.95 76.22 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.598 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.45 -36.36 83.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.49 78.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.552 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.05 -14.56 61.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.584 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.69 -130.66 28.45 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.583 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.56 -24.35 70.15 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.357 . . . . 0.0 113.061 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.25 78.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -72.53 -23.74 61.04 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 139.3 18.59 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.632 2.221 . . . . 0.0 112.561 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.53 137.74 71.33 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.853 2.369 . . . . 0.0 112.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.02 142.44 42.38 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.682 2.254 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 m -134.13 150.25 51.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.655 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.9 -49.18 60.43 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.103 0.252 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.27 -39.97 95.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.956 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.44 97.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.825 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -38.01 89.51 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.455 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -55.75 -43.04 76.28 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.1 -38.1 87.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.75 75.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.529 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.89 -14.93 61.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.58 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.63 -130.03 30.98 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.505 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.56 -24.03 70.26 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.809 2.339 . . . . 0.0 113.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.54 76.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -70.73 -24.91 62.72 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.55 127.26 12.28 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.54 2.16 . . . . 0.0 112.666 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.82 137.78 82.79 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.927 2.418 . . . . 0.0 112.194 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.03 106.79 2.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.685 2.256 . . . . 0.0 112.42 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.0 m -145.94 101.54 3.54 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.639 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.22 -52.34 23.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.512 0.196 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.52 -39.89 94.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.947 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.47 97.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.936 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.22 86.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.331 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -57.18 -42.92 82.1 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.78 -33.9 77.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.05 78.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.614 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.75 -14.25 61.95 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.638 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.51 -131.14 24.03 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.484 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.06 -24.07 66.86 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.05 79.47 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.3 p -72.19 -23.3 61.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.518 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 56.9 Cg_endo -71.29 124.24 10.26 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.606 2.204 . . . . 0.0 112.732 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.83 139.46 88.44 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.986 2.458 . . . . 0.0 112.215 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.82 121.84 6.49 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.713 2.275 . . . . 0.0 112.467 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.69 150.81 28.03 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.587 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.61 -63.24 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.244 0.34 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.74 -40.41 95.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.255 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.974 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.36 -38.45 91.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.31 -42.86 74.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.88 -38.83 89.83 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.768 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.06 75.38 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.541 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.8 -15.01 61.64 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.3 -128.21 27.55 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.425 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -24.55 73.9 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.715 2.277 . . . . 0.0 112.943 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.21 77.33 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.5 p -66.7 -26.1 66.86 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.502 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 42.0 Cg_endo -68.64 123.72 10.77 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.607 2.204 . . . . 0.0 112.524 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.42 139.93 74.12 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.131 2.554 . . . . 0.0 112.451 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.85 110.09 2.31 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.815 2.344 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.2 m -148.46 64.01 1.08 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.17 -69.41 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.326 0.391 . . . . 0.0 111.342 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.65 -41.78 78.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.844 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.33 97.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.588 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -64.63 -38.54 91.35 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.423 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 46.6 t90 -56.21 -43.62 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.91 -36.76 85.41 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.77 77.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.75 -15.33 61.66 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.502 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 68.59 -129.67 25.23 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.524 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -24.76 73.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.833 2.356 . . . . 0.0 112.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.7 79.22 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -70.25 -24.43 63.07 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.96 138.74 18.76 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.579 2.186 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.25 137.41 70.63 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.83 2.353 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.8 102.08 1.53 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.741 2.294 . . . . 0.0 112.352 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 p -156.28 61.73 0.56 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.94 25.11 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.091 0.245 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -64.5 -39.0 92.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.896 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -37.01 86.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -55.8 -43.71 77.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -35.62 81.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.66 78.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.518 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -72.56 -14.95 61.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.565 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 -130.38 28.96 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.12 -23.47 66.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.753 2.302 . . . . 0.0 113.078 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.33 74.16 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p -73.17 -22.67 60.45 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.406 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 58.2 Cg_endo -71.92 126.93 12.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.545 2.163 . . . . 0.0 112.512 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.01 138.21 85.31 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.987 2.458 . . . . 0.0 112.229 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.46 143.71 27.97 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.754 2.303 . . . . 0.0 112.571 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -140.25 -59.03 0.54 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 122.412 -0.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.53 85.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.569 0.223 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.8 -40.87 98.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.79 85.89 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.838 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.0 -38.44 90.97 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.607 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -54.97 -44.53 74.48 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.21 -38.26 89.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.979 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.05 75.15 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.548 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.74 -15.13 61.67 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.532 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.65 -129.38 27.65 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.541 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.98 -24.84 73.96 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.803 2.336 . . . . 0.0 113.025 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.83 -38.48 79.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.9 p -66.9 -26.37 66.84 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.45 129.15 15.39 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.449 2.099 . . . . 0.0 112.366 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.95 144.04 69.68 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.908 2.406 . . . . 0.0 112.295 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.99 109.06 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.959 2.439 . . . . 0.0 112.704 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.26 133.95 7.98 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.055 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.621 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.78 -66.54 0.12 Allowed 'General case' 0 C--O 1.232 0.168 0 O-C-N 123.18 0.3 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -67.38 -41.18 85.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.15 96.01 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.751 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.44 -37.92 88.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.28 -43.32 74.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.752 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.46 -36.97 85.47 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.86 75.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.693 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.5 -14.99 61.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.658 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.6 -129.79 22.53 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.356 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.09 -25.08 73.2 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.667 2.244 . . . . 0.0 112.909 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.78 79.95 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.7 p -66.46 -26.77 67.36 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.464 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 51.0 Cg_endo -70.36 126.0 12.44 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.494 2.129 . . . . 0.0 112.376 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.97 137.14 78.1 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.938 2.425 . . . . 0.0 112.206 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -75.35 126.81 9.99 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.57 2.18 . . . . 0.0 112.328 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 p -153.13 145.35 23.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.664 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.59 36.65 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.04 0.213 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -64.84 -39.99 94.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.963 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.61 97.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.923 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -63.72 -38.18 90.13 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.329 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -56.85 -43.46 81.15 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.752 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.58 -36.8 84.81 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.17 76.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.619 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.56 -14.56 61.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.687 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.63 27.28 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 -24.86 74.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.754 2.302 . . . . 0.0 112.856 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.69 80.89 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.2 p -67.67 -26.21 66.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.89 125.39 12.03 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.605 2.203 . . . . 0.0 112.399 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.98 137.89 83.9 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.947 2.432 . . . . 0.0 112.431 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.71 101.54 1.52 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.814 2.343 . . . . 0.0 112.354 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 p -156.88 120.14 4.14 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.681 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.92 -59.19 2.04 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.033 0.208 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -68.18 -41.91 80.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.9 94.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -65.86 -38.3 88.45 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.474 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 45.3 t90 -55.07 -42.65 73.03 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.771 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.46 -39.17 91.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.67 -34.54 74.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.511 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -73.48 -15.06 61.33 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.706 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 69.47 -127.32 20.13 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.34 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.24 -24.8 76.37 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.748 2.299 . . . . 0.0 112.678 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.51 84.43 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.0 p -67.62 -26.47 66.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.455 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 75.3 Cg_exo -48.49 117.0 2.35 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.617 2.211 . . . . 0.0 112.569 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 10.7 Cg_endo -52.9 135.99 59.13 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.156 2.57 . . . . 0.0 112.36 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 114.49 4.05 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 m -130.11 -58.84 1.06 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.828 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.67 -64.17 0.05 OUTLIER 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.137 0.273 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -63.15 -40.99 99.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.084 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.82 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -38.05 89.67 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.381 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -56.89 -44.02 81.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -37.07 86.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.81 76.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.537 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.74 -14.68 61.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.55 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.54 -129.56 25.29 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.442 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.22 -24.65 72.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.728 2.285 . . . . 0.0 113.035 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.84 78.87 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 p -68.21 -25.48 65.23 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.12 123.56 10.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.608 2.205 . . . . 0.0 112.641 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.93 139.82 91.7 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.915 2.41 . . . . 0.0 112.292 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.07 83.56 2.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.79 2.326 . . . . 0.0 112.214 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -138.97 60.67 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.63 -67.89 0.37 Allowed 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.033 0.208 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.37 -40.74 93.92 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.042 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.42 93.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -38.18 88.42 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.538 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -54.75 -43.31 72.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.18 89.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.4 77.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.334 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.9 -14.8 62.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.59 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.53 -129.11 24.97 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.94 -25.14 74.09 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.777 2.318 . . . . 0.0 113.059 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.1 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -65.59 -26.58 67.91 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.416 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' HD2' ' A' ' 16' ' ' NVA . 52.6 Cg_endo -70.85 126.88 13.03 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.518 2.145 . . . . 0.0 112.515 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.74 137.32 80.75 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.929 2.419 . . . . 0.0 112.149 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.21 115.76 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.525 2.15 . . . . 0.0 112.301 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -134.14 135.57 43.23 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.998 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.652 -0.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.86 -66.27 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 123.185 0.303 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.72 -42.19 86.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.951 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.47 94.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.86 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -64.71 -39.2 93.25 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.376 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.412 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.8 t90 -54.77 -43.84 73.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.675 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.36 -39.34 92.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.458 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -73.16 -15.26 61.47 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.552 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 70.17 -129.44 20.58 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.358 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.74 -24.82 74.74 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.766 2.311 . . . . 0.0 112.925 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.98 76.74 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -63.63 -28.39 69.88 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.567 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.567 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 45.7 Cg_endo -68.82 125.94 13.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.41 2.073 . . . . 0.0 112.265 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.93 137.86 76.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.959 2.44 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.73 94.03 1.06 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.59 2.193 . . . . 0.0 112.353 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -147.2 100.76 3.32 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.638 -0.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.17 -52.56 33.12 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.656 0.265 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.7 -40.18 96.15 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.005 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.57 91.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.808 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -38.86 91.22 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.84 -42.33 75.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.628 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.06 -38.0 87.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.52 76.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.55 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -71.59 -15.03 62.25 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.521 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -128.74 25.32 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.46 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.98 -24.64 73.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.786 2.324 . . . . 0.0 112.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.73 75.57 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p -67.65 -26.27 66.14 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.84 125.84 11.99 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.519 2.146 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.41 144.48 72.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.943 2.429 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.23 117.43 2.86 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.922 2.415 . . . . 0.0 112.624 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -130.68 -58.47 1.03 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.819 -0.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.22 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.77 -63.95 0.04 OUTLIER 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.115 0.26 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.48 -40.54 95.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.83 97.84 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.915 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.04 -37.92 89.17 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 178.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -56.64 -42.13 78.37 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.87 -36.26 82.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.85 76.52 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.635 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.87 -14.79 61.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.586 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.98 -130.35 27.46 Favored Glycine 0 C--N 1.338 0.69 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.79 -24.34 68.56 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.751 2.3 . . . . 0.0 113.109 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.82 78.01 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -70.28 -24.83 63.11 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.12 125.38 10.83 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.666 2.244 . . . . 0.0 112.622 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.89 137.7 81.42 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.919 2.413 . . . . 0.0 112.357 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.64 106.03 2.11 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.721 2.281 . . . . 0.0 112.446 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -147.63 126.22 12.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.641 -0.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.68 -67.71 0.25 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.657 0.383 . . . . 0.0 111.536 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.69 -40.45 95.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.0 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.55 96.92 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.809 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -38.58 91.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -55.86 -42.99 76.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 179.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.68 -37.9 87.76 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.24 75.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.536 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.1 -15.07 61.5 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.655 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -128.91 27.67 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.53 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.26 -24.47 72.17 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.834 2.356 . . . . 0.0 112.923 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.61 77.95 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.8 p -69.05 -24.28 64.15 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.42 123.52 10.3 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.503 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.93 138.45 86.04 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.991 2.46 . . . . 0.0 112.268 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.63 82.45 2.28 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.631 2.221 . . . . 0.0 112.311 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -148.13 129.85 15.1 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.611 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.79 36.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.618 0.247 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.0 -40.26 95.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.4 92.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.85 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -39.14 93.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.335 178.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -56.14 -43.23 78.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.676 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.55 -35.7 81.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.994 179.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.3 76.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.839 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.16 -14.56 60.97 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.26 -127.52 26.93 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.293 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.88 -25.13 74.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.746 2.297 . . . . 0.0 112.853 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.3 82.6 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.2 p -67.48 -26.96 66.62 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.526 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.83 124.53 11.15 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.541 2.16 . . . . 0.0 112.163 -179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.97 140.18 85.7 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.955 2.437 . . . . 0.0 112.471 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.02 119.31 5.89 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.022 2.481 . . . . 0.0 112.565 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -143.42 62.99 1.37 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.56 -54.73 6.52 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.557 0.217 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -65.5 -39.89 92.38 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.996 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.28 96.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -65.9 -38.25 88.25 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.45 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -55.48 -41.94 73.69 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.611 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.25 -36.76 83.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.23 76.0 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.742 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.55 -14.99 61.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.525 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -129.61 28.9 Favored Glycine 0 C--N 1.34 0.78 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.627 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -24.31 71.87 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.757 2.304 . . . . 0.0 112.967 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.56 74.43 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.1 p -68.73 -26.24 65.15 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.82 127.11 12.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.561 2.174 . . . . 0.0 112.616 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.31 136.73 76.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.844 2.362 . . . . 0.0 112.128 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 128.23 15.47 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 m -135.69 56.52 1.83 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.6 -59.81 2.11 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.547 0.213 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -67.81 -40.5 83.85 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.069 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.69 89.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.986 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.93 -36.77 84.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -56.7 -42.52 79.26 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.72 -36.06 82.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.067 179.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.12 73.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.637 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.19 -14.97 61.46 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.87 -131.96 28.7 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.731 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.92 -24.51 67.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.859 2.373 . . . . 0.0 113.184 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.62 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p -67.95 -25.3 65.38 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.58 126.4 11.46 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.615 2.21 . . . . 0.0 112.498 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.4 142.29 97.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.942 2.428 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 116.57 3.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.873 2.382 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -94.75 135.07 36.66 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.617 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.84 -51.36 49.36 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.533 0.206 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.08 -40.47 94.68 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.987 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.09 99.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.984 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.68 88.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -54.79 -43.18 72.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.656 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.32 -37.66 87.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.04 76.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.5 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.26 -15.15 61.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.495 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.03 -129.26 34.97 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.474 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.44 -23.93 71.11 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.767 2.311 . . . . 0.0 112.921 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.12 75.7 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 p -71.87 -23.41 61.5 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.518 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 47.5 Cg_endo -69.57 124.18 10.9 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.51 2.14 . . . . 0.0 112.533 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.71 137.8 82.59 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.878 2.385 . . . . 0.0 112.374 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.12 117.05 4.04 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -148.95 -59.52 0.22 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 O-C-N 122.394 -0.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.75 -68.84 0.21 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.646 0.378 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -69.11 -40.67 78.2 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.56 94.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.808 179.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.4 -36.45 81.33 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -56.71 -41.83 78.1 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.34 -37.42 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.79 74.15 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.75 -14.8 61.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.599 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.11 -131.15 25.0 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.553 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.63 -24.94 69.39 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.799 2.332 . . . . 0.0 113.099 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.16 82.73 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p -66.53 -25.93 66.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.513 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 54.4 Cg_endo -70.79 125.3 11.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.525 2.15 . . . . 0.0 112.691 -179.694 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.3 136.33 71.51 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.817 2.345 . . . . 0.0 112.207 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 107.96 2.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -144.17 103.91 4.05 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.654 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.56 -69.03 0.44 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.087 0.242 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -63.83 -40.9 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.928 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.86 96.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.691 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.17 83.18 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 179.02 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.7 -44.18 90.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.591 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.45 -34.67 78.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -36.54 77.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.704 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.92 -14.94 61.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.642 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.88 -130.54 25.13 Favored Glycine 0 C--N 1.339 0.714 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.27 -24.27 72.12 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.815 2.343 . . . . 0.0 112.95 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.73 76.28 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p -68.14 -26.23 65.68 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.426 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 48.6 Cg_endo -69.58 124.51 11.23 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.559 2.173 . . . . 0.0 112.742 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.1 140.75 95.25 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.999 2.466 . . . . 0.0 112.561 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.37 79.16 3.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.915 2.41 . . . . 0.0 112.228 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -112.98 -56.15 2.45 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.799 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.33 -58.79 2.69 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.622 0.249 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.47 -40.08 85.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.12 97.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.959 179.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -53.26 -43.78 67.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.14 -39.39 92.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.826 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.51 75.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.65 -15.22 61.72 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.447 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.95 -130.09 21.88 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.528 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.43 -24.86 70.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.748 2.298 . . . . 0.0 113.016 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.2 76.03 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -67.75 -26.68 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.07 126.19 12.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.537 2.158 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.44 136.49 75.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.953 2.435 . . . . 0.0 112.415 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.82 141.04 21.21 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.756 2.304 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -140.92 145.68 36.4 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.717 -0.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.68 59.27 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.035 0.209 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.951 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.86 89.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.81 179.523 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.84 88.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.076 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -56.55 -43.41 79.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.711 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.12 -37.09 86.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.73 75.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.591 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.82 -14.92 61.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.61 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -129.36 28.59 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.462 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.85 -24.18 68.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.815 2.343 . . . . 0.0 112.991 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.98 -40.49 78.79 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -68.73 -24.78 64.5 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.32 124.35 10.77 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.588 2.192 . . . . 0.0 112.627 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.28 142.44 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.949 2.433 . . . . 0.0 112.48 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.32 121.47 9.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.971 2.448 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.9 p -149.17 147.68 28.73 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.97 75.29 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.045 0.216 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.41 -40.41 89.55 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.005 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.25 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.949 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -38.25 88.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.438 179.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.429 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.1 t90 -55.58 -42.68 75.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.15 -37.47 87.52 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 179.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.09 77.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.609 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -73.08 -14.39 61.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.659 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 67.7 -127.3 25.46 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.418 -179.704 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.87 -24.49 74.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.784 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.25 76.6 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.742 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -69.79 -26.38 64.24 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.445 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 58.2 Cg_endo -72.26 136.14 26.09 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.541 2.16 . . . . 0.0 112.399 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.43 135.56 70.64 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.888 2.392 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 138.93 20.91 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.819 2.346 . . . . 0.0 112.309 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -137.68 131.5 31.53 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.673 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.71 -62.61 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.182 0.301 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.15 -40.7 94.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.298 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.69 -40.38 83.44 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.058 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.77 -37.67 85.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -54.97 -43.28 73.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.804 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -38.2 89.8 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.025 179.344 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.84 74.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.541 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.21 -14.88 61.43 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.525 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.04 -130.1 27.09 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.37 -24.61 71.32 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.799 2.333 . . . . 0.0 112.981 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.32 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.563 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p -69.99 -25.39 63.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' NVA . . . . . 0.557 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 40.5 Cg_endo -67.85 122.8 9.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.426 2.084 . . . . 0.0 112.331 -179.821 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.1 Cg_endo -55.38 143.29 77.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.945 2.43 . . . . 0.0 112.663 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.63 116.2 2.72 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.063 2.509 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -127.21 -57.13 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.796 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.576 0.227 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -66.78 -41.56 87.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.07 92.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.89 -40.02 94.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.452 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -53.3 -43.49 67.58 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.698 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.76 -39.59 91.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.838 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.62 75.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.425 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 CA--C 1.536 0.41 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.577 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.288 0 CA-C-O 120.163 -0.243 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.18 -24.62 72.69 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.762 2.308 . . . . 0.0 112.897 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.8 75.83 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 111.471 0.175 . . . . 0.0 111.471 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 60.4 Cg_endo . . . . . 0 CA--C 1.531 0.33 0 CA-C-O 120.545 0.144 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.0 Cg_endo -55.02 137.33 76.12 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.911 2.407 . . . . 0.0 112.287 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 122.56 2.173 . . . . 0.0 112.549 -179.781 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.556 0.217 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -64.39 -39.44 93.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.04 95.27 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.005 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.37 87.37 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.529 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.88 -43.64 77.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.45 -36.4 83.78 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.29 75.26 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.686 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.57 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 CA-C-O 120.21 -0.216 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.73 -24.69 68.8 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 122.862 2.375 . . . . 0.0 113.157 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.47 80.62 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.531 0.339 0 N-CA-C 112.608 0.195 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.06 137.83 82.84 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.951 2.434 . . . . 0.0 112.217 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo . . . . . 0 C--N 1.349 0.571 0 C-N-CA 122.703 2.268 . . . . 0.0 112.57 -179.834 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.34 -40.22 95.44 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.0 97.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.888 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -64.68 -36.63 84.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.47 -35.67 80.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -36.04 76.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.64 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.275 0 CA-C-O 119.998 -0.334 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.95 -25.16 74.08 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.67 2.247 . . . . 0.0 113.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.28 83.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.2 Cg_endo . . . . . 0 CA--C 1.531 0.326 0 N-CA-C 112.618 0.199 . . . . 0.0 112.618 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.0 Cg_endo -55.68 136.87 76.32 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.002 2.468 . . . . 0.0 112.511 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--N 1.348 0.512 0 C-N-CA 122.794 2.329 . . . . 0.0 112.48 -179.852 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.513 0.197 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -66.45 -41.17 89.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.18 96.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.749 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -37.46 87.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.95 -43.47 77.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.53 -36.42 83.75 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.955 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.8 75.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.71 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.535 0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.538 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.386 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.01 -25.18 73.81 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.799 2.332 . . . . 0.0 112.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.69 78.68 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 112.461 0.139 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.6 138.03 84.18 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.875 2.383 . . . . 0.0 112.315 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.348 0.501 0 C-N-CA 122.596 2.197 . . . . 0.0 112.493 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.486 0.184 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.81 -41.41 97.9 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.14 92.53 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.659 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -39.28 93.73 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.398 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -54.96 -43.58 73.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.58 -38.79 90.52 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.907 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.69 75.83 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.411 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 CA--C 1.535 0.399 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.541 179.684 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.01 -23.92 67.34 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.727 2.284 . . . . 0.0 113.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.3 75.99 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo . . . . . 0 CA--C 1.532 0.4 0 N-CA-C 112.544 0.171 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.64 139.24 89.59 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.877 2.384 . . . . 0.0 112.084 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 C--N 1.349 0.581 0 C-N-CA 122.558 2.172 . . . . 0.0 112.548 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.574 0.226 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.41 -40.59 93.58 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.964 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.51 94.0 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -65.9 -37.99 87.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.421 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -56.24 -42.25 77.03 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.608 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.37 -38.13 86.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.33 74.57 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.602 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.546 179.775 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.345 0 CA-C-O 120.153 -0.249 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.42 -24.47 71.05 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.857 2.371 . . . . 0.0 113.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.0 77.82 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.53 0.325 0 CA-C-O 120.66 0.192 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.83 137.09 79.33 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.948 2.432 . . . . 0.0 112.167 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.349 0.579 0 C-N-CA 122.651 2.234 . . . . 0.0 112.5 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.645 0.26 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -64.58 -40.24 95.18 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.983 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.04 97.01 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.39 90.89 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.445 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -55.52 -43.95 76.22 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.598 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.45 -36.36 83.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.49 78.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.552 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.584 179.742 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 CA-C-O 120.199 -0.223 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.56 -24.35 70.15 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.357 . . . . 0.0 113.061 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.25 78.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 112.561 0.177 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.53 137.74 71.33 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.853 2.369 . . . . 0.0 112.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--N 1.349 0.561 0 C-N-CA 122.682 2.254 . . . . 0.0 112.421 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.27 -39.97 95.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.956 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.44 97.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.825 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -38.01 89.51 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.455 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -55.75 -43.04 76.28 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.1 -38.1 87.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.75 75.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.529 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.58 179.652 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.323 0 CA-C-O 120.161 -0.244 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.56 -24.03 70.26 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.809 2.339 . . . . 0.0 113.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.54 76.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.531 0.374 0 N-CA-C 112.666 0.218 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.82 137.78 82.79 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.927 2.418 . . . . 0.0 112.194 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 C--N 1.348 0.525 0 C-N-CA 122.685 2.256 . . . . 0.0 112.42 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.512 0.196 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.52 -39.89 94.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.947 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.47 97.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.936 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.22 86.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.331 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -57.18 -42.92 82.1 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.78 -33.9 77.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.05 78.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.614 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.638 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.392 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.06 -24.07 66.86 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.05 79.47 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.3 p . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 112.732 0.243 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.83 139.46 88.44 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.986 2.458 . . . . 0.0 112.215 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.349 0.564 0 C-N-CA 122.713 2.275 . . . . 0.0 112.467 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.518 0.199 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.74 -40.41 95.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.255 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.974 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.36 -38.45 91.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 51.4 t90 -55.31 -42.86 74.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.88 -38.83 89.83 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.768 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.06 75.38 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.541 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.549 179.641 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.52 0.346 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -24.55 73.9 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.715 2.277 . . . . 0.0 112.943 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.21 77.33 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 42.0 Cg_endo . . . . . 0 CA--C 1.531 0.36 0 CA-C-O 120.637 0.182 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.42 139.93 74.12 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.131 2.554 . . . . 0.0 112.451 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo . . . . . 0 C--N 1.348 0.526 0 C-N-CA 122.815 2.344 . . . . 0.0 112.549 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.375 0.131 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.65 -41.78 78.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.844 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.33 97.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.588 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -64.63 -38.54 91.35 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.435 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 46.6 t90 -56.21 -43.62 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.91 -36.76 85.41 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.77 77.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 CA--C 1.534 0.356 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.502 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.336 0 CA-C-O 120.167 -0.241 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -24.76 73.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.833 2.356 . . . . 0.0 112.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.7 79.22 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.531 0.347 0 N-CA-C 112.504 0.155 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.25 137.41 70.63 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.83 2.353 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo . . . . . 0 C--N 1.347 0.482 0 C-N-CA 122.741 2.294 . . . . 0.0 112.352 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.512 0.196 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -64.5 -39.0 92.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.896 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -37.01 86.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -55.8 -43.71 77.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -35.62 81.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.66 78.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.518 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 CA--C 1.535 0.395 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.565 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.12 -23.47 66.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.753 2.302 . . . . 0.0 113.078 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.33 74.16 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 58.2 Cg_endo . . . . . 0 CA--C 1.53 0.306 0 CA-C-O 120.655 0.19 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 17.6 Cg_endo -57.01 138.21 85.31 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.987 2.458 . . . . 0.0 112.229 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--N 1.348 0.509 0 C-N-CA 122.754 2.303 . . . . 0.0 112.571 -179.76 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.569 0.223 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.8 -40.87 98.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.79 85.89 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.838 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.0 -38.44 90.97 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.607 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -54.97 -44.53 74.48 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.21 -38.26 89.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.979 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.05 75.15 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.548 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 CA--C 1.534 0.341 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.532 179.701 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 CA-C-O 120.11 -0.272 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.98 -24.84 73.96 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.803 2.336 . . . . 0.0 113.025 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.83 -38.48 79.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 N--CA 1.464 0.238 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.3 Cg_endo . . . . . 0 CA--C 1.531 0.34 0 CA-C-O 120.505 0.127 . . . . 0.0 112.366 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.4 Cg_endo -54.95 144.04 69.68 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.908 2.406 . . . . 0.0 112.295 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 122.959 2.439 . . . . 0.0 112.704 -179.731 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.512 0.196 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -67.38 -41.18 85.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.15 96.01 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.751 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.44 -37.92 88.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.28 -43.32 74.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.752 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.46 -36.97 85.47 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.86 75.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.693 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.658 179.725 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 N-CA-C 112.356 -0.298 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.09 -25.08 73.2 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.667 2.244 . . . . 0.0 112.909 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.78 79.95 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 51.0 Cg_endo . . . . . 0 CA--C 1.531 0.326 0 CA-C-O 120.504 0.127 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.1 Cg_endo -55.97 137.14 78.1 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.938 2.425 . . . . 0.0 112.206 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.349 0.577 0 C-N-CA 122.57 2.18 . . . . 0.0 112.328 -179.698 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.483 0.182 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -64.84 -39.99 94.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.963 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.61 97.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.923 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -63.72 -38.18 90.13 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.329 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -56.85 -43.46 81.15 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.752 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.58 -36.8 84.81 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.17 76.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.619 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.467 0.394 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.687 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.289 0 CA-C-O 120.077 -0.291 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 -24.86 74.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.754 2.302 . . . . 0.0 112.856 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.69 80.89 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 52.3 Cg_endo . . . . . 0 CA--C 1.531 0.341 0 CA-C-O 120.564 0.152 . . . . 0.0 112.399 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.98 137.89 83.9 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.947 2.432 . . . . 0.0 112.431 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.35 0.62 0 C-N-CA 122.814 2.343 . . . . 0.0 112.354 -179.87 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.518 0.199 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -68.18 -41.91 80.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.9 94.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -65.86 -38.3 88.45 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.484 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 45.3 t90 -55.07 -42.65 73.03 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.771 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.46 -39.17 91.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.67 -34.54 74.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.511 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.706 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.484 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.341 0 N-CA-C 112.34 -0.304 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.24 -24.8 76.37 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.748 2.299 . . . . 0.0 112.678 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.51 84.43 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.455 179.865 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 75.3 Cg_exo . . . . . 0 CA--C 1.532 0.399 0 N-CA-C 112.569 0.181 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 10.7 Cg_endo -52.9 135.99 59.13 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.156 2.57 . . . . 0.0 112.36 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.349 0.575 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.467 0.175 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -63.15 -40.99 99.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.084 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.82 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -38.05 89.67 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.381 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -56.89 -44.02 81.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -37.07 86.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.81 76.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.537 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.55 179.703 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.22 -24.65 72.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.728 2.285 . . . . 0.0 113.035 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.84 78.87 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 p . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 CA--C 1.531 0.34 0 N-CA-C 112.641 0.208 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.93 139.82 91.7 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.915 2.41 . . . . 0.0 112.292 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.79 2.326 . . . . 0.0 112.214 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.455 0.169 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.37 -40.74 93.92 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.042 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.42 93.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -38.18 88.42 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.538 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -54.75 -43.31 72.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.18 89.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.4 77.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.334 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.59 179.778 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.334 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.94 -25.14 74.09 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.777 2.318 . . . . 0.0 113.059 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.1 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 52.6 Cg_endo . . . . . 0 CA--C 1.53 0.305 0 CA-C-O 120.629 0.179 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.74 137.32 80.75 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.929 2.419 . . . . 0.0 112.149 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--N 1.349 0.582 0 C-N-CA 122.525 2.15 . . . . 0.0 112.301 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.458 0.17 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.72 -42.19 86.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.951 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.47 94.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.86 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -64.71 -39.2 93.25 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.376 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.8 t90 -54.77 -43.84 73.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.675 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.36 -39.34 92.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.458 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.552 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.52 0.396 0 N-CA-C 112.358 -0.297 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.74 -24.82 74.74 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.766 2.311 . . . . 0.0 112.925 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.98 76.74 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 45.7 Cg_endo . . . . . 0 CA--C 1.531 0.365 0 CA-C-O 120.523 0.135 . . . . 0.0 112.265 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.93 137.86 76.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.959 2.44 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 122.59 2.193 . . . . 0.0 112.353 -179.835 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.656 0.265 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.7 -40.18 96.15 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.005 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.57 91.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.808 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -38.86 91.22 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.84 -42.33 75.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.628 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.06 -38.0 87.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.52 76.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.55 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 CA--C 1.536 0.414 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.521 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.304 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.98 -24.64 73.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.786 2.324 . . . . 0.0 112.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.73 75.57 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.465 0.288 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 CA--C 1.531 0.344 0 CA-C-O 120.549 0.145 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.41 144.48 72.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.943 2.429 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--N 1.351 0.677 0 C-N-CA 122.922 2.415 . . . . 0.0 112.624 -179.958 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.553 0.216 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.48 -40.54 95.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.83 97.84 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.915 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.04 -37.92 89.17 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 178.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -56.64 -42.13 78.37 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.87 -36.26 82.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.85 76.52 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.635 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.586 179.751 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.79 -24.34 68.56 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.751 2.3 . . . . 0.0 113.109 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.82 78.01 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.996 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 CA--C 1.531 0.359 0 N-CA-C 112.622 0.201 . . . . 0.0 112.622 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.89 137.7 81.42 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.919 2.413 . . . . 0.0 112.357 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--N 1.348 0.552 0 C-N-CA 122.721 2.281 . . . . 0.0 112.446 -179.834 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.69 -40.45 95.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.0 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.55 96.92 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.809 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -38.58 91.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -55.86 -42.99 76.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 179.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.68 -37.9 87.76 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.24 75.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.536 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.655 179.756 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.326 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.26 -24.47 72.17 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.834 2.356 . . . . 0.0 112.923 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.61 77.95 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 CA--C 1.53 0.298 0 N-CA-C 112.503 0.155 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.93 138.45 86.04 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.991 2.46 . . . . 0.0 112.268 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.348 0.52 0 C-N-CA 122.631 2.221 . . . . 0.0 112.311 179.984 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.618 0.247 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.0 -40.26 95.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.4 92.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.85 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -39.14 93.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.335 178.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -56.14 -43.23 78.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.676 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.55 -35.7 81.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.994 179.453 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.3 76.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.839 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.84 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.337 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.88 -25.13 74.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.746 2.297 . . . . 0.0 112.853 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.3 82.6 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.526 179.929 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 55.5 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 CA-C-O 120.575 0.156 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -55.97 140.18 85.7 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.955 2.437 . . . . 0.0 112.471 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo . . . . . 0 C--N 1.35 0.652 0 C-N-CA 123.022 2.481 . . . . 0.0 112.565 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.557 0.217 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -65.5 -39.89 92.38 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.996 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.28 96.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -65.9 -38.25 88.25 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.45 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -55.48 -41.94 73.69 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.611 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.25 -36.76 83.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.23 76.0 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.742 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.534 0.359 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.525 179.657 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.301 0 CA-C-O 120.194 -0.225 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -24.31 71.87 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.757 2.304 . . . . 0.0 112.967 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.56 74.43 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.971 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 CA--C 1.531 0.332 0 N-CA-C 112.616 0.199 . . . . 0.0 112.616 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.31 136.73 76.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.844 2.362 . . . . 0.0 112.128 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.348 0.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.413 -179.843 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.547 0.213 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -67.81 -40.5 83.85 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.069 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.69 89.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.986 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.93 -36.77 84.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -56.7 -42.52 79.26 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.72 -36.06 82.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.067 179.442 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.12 73.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.637 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.852 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.322 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.92 -24.51 67.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.859 2.373 . . . . 0.0 113.184 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.62 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.886 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.53 0.321 0 CA-C-O 120.595 0.164 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.2 Cg_endo -58.4 142.29 97.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.942 2.428 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.5 Cg_exo . . . . . 0 C--N 1.35 0.617 0 C-N-CA 122.873 2.382 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.533 0.206 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.08 -40.47 94.68 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.987 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.09 99.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.984 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.68 88.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.407 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.79 -43.18 72.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.656 179.331 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.32 -37.66 87.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.04 76.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.5 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.495 179.658 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.518 0.27 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.44 -23.93 71.11 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.767 2.311 . . . . 0.0 112.921 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.12 75.7 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 47.5 Cg_endo . . . . . 0 CA--C 1.53 0.298 0 CA-C-O 120.611 0.171 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.8 Cg_endo -56.71 137.8 82.59 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.878 2.385 . . . . 0.0 112.374 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.348 0.522 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.873 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.423 0.154 . . . . 0.0 111.318 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -69.11 -40.67 78.2 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.56 94.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.808 179.461 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.4 -36.45 81.33 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -56.71 -41.83 78.1 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.34 -37.42 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.338 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.79 74.15 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.599 179.67 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.19 -0.228 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.63 -24.94 69.39 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.799 2.332 . . . . 0.0 113.099 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.16 82.73 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.871 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 112.691 0.227 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.3 136.33 71.51 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.817 2.345 . . . . 0.0 112.207 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--N 1.349 0.597 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.909 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.457 0.17 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -63.83 -40.9 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.928 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.86 96.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.691 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.17 83.18 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 179.02 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.7 -44.18 90.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.591 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.45 -34.67 78.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -36.54 77.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.704 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.642 179.847 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.27 -24.27 72.12 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.815 2.343 . . . . 0.0 112.95 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.73 76.28 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.544 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.936 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo . . . . . 0 CA--C 1.532 0.379 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.1 140.75 95.25 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.999 2.466 . . . . 0.0 112.561 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.915 2.41 . . . . 0.0 112.228 179.993 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.622 0.249 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.47 -40.08 85.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.12 97.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.959 179.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -53.26 -43.78 67.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.14 -39.39 92.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.826 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.51 75.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.447 179.625 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.285 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.43 -24.86 70.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.748 2.298 . . . . 0.0 113.016 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.2 76.03 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.967 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.7 Cg_endo . . . . . 0 CA--C 1.531 0.344 0 N-CA-C 112.483 0.147 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -56.44 136.49 75.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.953 2.435 . . . . 0.0 112.415 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--N 1.349 0.565 0 C-N-CA 122.756 2.304 . . . . 0.0 112.523 -179.912 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.493 0.187 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.951 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.86 89.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.81 179.523 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.84 88.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.076 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -56.55 -43.41 79.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.711 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.12 -37.09 86.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.73 75.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.591 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.466 0.325 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.61 179.722 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.344 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.85 -24.18 68.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.815 2.343 . . . . 0.0 112.991 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.98 -40.49 78.79 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.991 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo . . . . . 0 CA--C 1.531 0.336 0 N-CA-C 112.627 0.203 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.8 Cg_endo -57.28 142.44 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.949 2.433 . . . . 0.0 112.48 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.7 Cg_exo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.971 2.448 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.51 0.195 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.41 -40.41 89.55 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.005 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.25 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.949 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -38.25 88.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.438 179.097 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.439 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.1 t90 -55.58 -42.68 75.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.15 -37.47 87.52 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 179.32 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.09 77.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.609 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.659 179.793 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.334 0 CA-C-O 120.06 -0.3 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.87 -24.49 74.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.784 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.25 76.6 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.742 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 179.931 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.595 0.165 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.43 135.56 70.64 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.888 2.392 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.819 2.346 . . . . 0.0 112.309 179.911 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.504 0.192 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.15 -40.7 94.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.298 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.69 -40.38 83.44 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.058 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.77 -37.67 85.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.4 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.97 -43.28 73.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.804 179.385 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -38.2 89.8 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.025 179.344 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.84 74.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.541 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 CA--C 1.536 0.411 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.525 179.778 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.321 0 CA-C-O 120.141 -0.255 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.37 -24.61 71.32 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.799 2.333 . . . . 0.0 112.981 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.32 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.563 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.893 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.462 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 40.5 Cg_endo . . . . . 0 CA--C 1.53 0.299 0 CA-C-O 120.583 0.16 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.1 Cg_endo -55.38 143.29 77.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.945 2.43 . . . . 0.0 112.663 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo . . . . . 0 C--N 1.349 0.563 0 C-N-CA 123.063 2.509 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.26 46.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.576 0.227 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -66.78 -41.56 87.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.07 92.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.89 -40.02 94.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.452 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -53.3 -43.49 67.58 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.698 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.76 -39.59 91.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.838 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.62 75.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.425 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.32 -15.04 61.89 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.577 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.49 -129.95 22.99 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.529 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.18 -24.62 72.69 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.762 2.308 . . . . 0.0 112.897 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.8 75.83 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -65.61 -27.77 68.65 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.471 0.175 . . . . 0.0 111.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 60.4 Cg_endo -72.88 127.89 12.68 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.456 2.104 . . . . 0.0 112.357 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.0 Cg_endo -55.02 137.33 76.12 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.911 2.407 . . . . 0.0 112.287 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -74.36 131.63 15.34 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.56 2.173 . . . . 0.0 112.549 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -114.59 -56.51 2.38 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 122.436 -0.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.89 -65.35 0.07 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.556 0.217 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -64.39 -39.44 93.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.04 95.27 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.005 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.37 87.37 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.529 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.88 -43.64 77.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.45 -36.4 83.78 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.29 75.26 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.686 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.19 -15.02 61.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.57 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -131.45 22.8 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.593 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.73 -24.69 68.8 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 122.862 2.375 . . . . 0.0 113.157 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.47 80.62 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p -67.54 -25.03 65.61 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.557 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 55.9 Cg_endo -71.03 127.03 13.07 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.595 2.197 . . . . 0.0 112.608 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.06 137.83 82.84 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.951 2.434 . . . . 0.0 112.217 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.78 149.62 43.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.703 2.268 . . . . 0.0 112.57 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.1 m -119.5 127.93 53.5 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.649 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.234 0.261 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.43 -68.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.329 0.393 . . . . 0.0 111.505 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.34 -40.22 95.44 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.0 97.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.888 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -64.68 -36.63 84.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.47 -35.67 80.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -36.04 76.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.64 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.69 -14.27 61.12 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.77 -128.37 29.2 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.4 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.95 -25.16 74.08 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.67 2.247 . . . . 0.0 113.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.28 83.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p -69.75 -25.07 63.65 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.2 Cg_endo -70.8 125.95 12.12 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.59 2.194 . . . . 0.0 112.618 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.0 Cg_endo -55.68 136.87 76.32 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.002 2.468 . . . . 0.0 112.511 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.53 128.35 9.47 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.794 2.329 . . . . 0.0 112.48 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -147.16 124.83 11.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.715 -0.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.03 61.57 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.028 0.205 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -66.45 -41.17 89.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.18 96.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.749 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -37.46 87.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.95 -43.47 77.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.53 -36.42 83.75 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.955 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.8 75.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.71 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.8 -15.51 61.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.538 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.09 -130.04 21.47 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.436 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.01 -25.18 73.81 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.799 2.332 . . . . 0.0 112.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.69 78.68 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -27.03 67.5 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.59 127.26 12.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.569 2.179 . . . . 0.0 112.461 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.6 138.03 84.18 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.875 2.383 . . . . 0.0 112.315 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.4 135.51 18.45 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.596 2.197 . . . . 0.0 112.493 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -103.29 118.28 36.4 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.619 -0.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.8 -49.12 32.53 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.112 0.258 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.81 -41.41 97.9 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.14 92.53 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.659 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -39.28 93.73 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.398 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -54.96 -43.58 73.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.58 -38.79 90.52 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.907 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.69 75.83 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.411 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -72.52 -15.16 61.78 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.541 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.39 -129.9 31.55 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.522 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.01 -23.92 67.34 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.727 2.284 . . . . 0.0 113.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.3 75.99 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p -71.94 -23.43 61.46 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.2 130.36 13.0 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.552 2.168 . . . . 0.0 112.544 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.64 139.24 89.59 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.877 2.384 . . . . 0.0 112.084 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -74.44 139.02 25.34 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.558 2.172 . . . . 0.0 112.548 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -135.98 115.94 13.22 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.224 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.6 -52.57 14.93 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.574 0.226 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.41 -40.59 93.58 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.964 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.51 94.0 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -65.9 -37.99 87.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.421 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -56.24 -42.25 77.03 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.608 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.37 -38.13 86.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.33 74.57 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.602 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.86 -15.05 61.61 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.546 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.71 -130.0 25.16 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.42 -24.47 71.05 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.857 2.371 . . . . 0.0 113.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.0 77.82 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p -66.7 -26.43 67.02 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.417 ' HD3' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HD2' ' HD3' ' A' ' 16' ' ' NVA . 57.8 Cg_endo -71.92 126.95 12.39 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.564 2.176 . . . . 0.0 112.523 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.83 137.09 79.33 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.948 2.432 . . . . 0.0 112.167 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.09 140.81 38.51 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.651 2.234 . . . . 0.0 112.5 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -114.1 62.21 0.66 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.729 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.564 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.38 62.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.645 0.26 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -64.58 -40.24 95.18 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.983 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.04 97.01 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.39 90.89 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.445 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -55.52 -43.95 76.22 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.598 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.45 -36.36 83.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.49 78.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.552 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.05 -14.56 61.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.584 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.69 -130.66 28.45 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.583 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.56 -24.35 70.15 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.357 . . . . 0.0 113.061 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.25 78.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -72.53 -23.74 61.04 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 139.3 18.59 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.632 2.221 . . . . 0.0 112.561 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.53 137.74 71.33 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.853 2.369 . . . . 0.0 112.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.02 142.44 42.38 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.682 2.254 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 m -134.13 150.25 51.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.655 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.9 -49.18 60.43 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.103 0.252 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.27 -39.97 95.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.956 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.44 97.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.825 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -38.01 89.51 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.455 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -55.75 -43.04 76.28 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.1 -38.1 87.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.75 75.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.529 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.89 -14.93 61.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.58 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.63 -130.03 30.98 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.505 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.56 -24.03 70.26 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.809 2.339 . . . . 0.0 113.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.54 76.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -70.73 -24.91 62.72 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.55 127.26 12.28 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.54 2.16 . . . . 0.0 112.666 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.82 137.78 82.79 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.927 2.418 . . . . 0.0 112.194 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.03 106.79 2.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.685 2.256 . . . . 0.0 112.42 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.0 m -145.94 101.54 3.54 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.639 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.22 -52.34 23.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.512 0.196 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.52 -39.89 94.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.947 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.47 97.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.936 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.22 86.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.331 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -57.18 -42.92 82.1 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.78 -33.9 77.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.05 78.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.614 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.75 -14.25 61.95 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.638 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.51 -131.14 24.03 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.484 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.06 -24.07 66.86 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.05 79.47 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.3 p -72.19 -23.3 61.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.538 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 56.9 Cg_endo -71.29 124.24 10.26 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.606 2.204 . . . . 0.0 112.732 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.83 139.46 88.44 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.986 2.458 . . . . 0.0 112.215 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.82 121.84 6.49 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.713 2.275 . . . . 0.0 112.467 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.69 150.81 28.03 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.587 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.61 -63.24 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.244 0.34 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.74 -40.41 95.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.255 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.974 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.36 -38.45 91.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 51.4 t90 -55.31 -42.86 74.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.88 -38.83 89.83 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.768 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.06 75.38 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.541 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.8 -15.01 61.64 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 67.3 -128.21 27.55 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.425 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -24.55 73.9 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.715 2.277 . . . . 0.0 112.943 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.21 77.33 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.5 p -66.7 -26.1 66.86 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.535 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 42.0 Cg_endo -68.64 123.72 10.77 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.607 2.204 . . . . 0.0 112.524 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.42 139.93 74.12 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.131 2.554 . . . . 0.0 112.451 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.85 110.09 2.31 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.815 2.344 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.2 m -148.46 64.01 1.08 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.232 0.168 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.17 -69.41 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.326 0.391 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.65 -41.78 78.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.844 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.33 97.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.588 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -64.63 -38.54 91.35 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.435 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 46.6 t90 -56.21 -43.62 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.91 -36.76 85.41 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.77 77.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.75 -15.33 61.66 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.502 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 68.59 -129.67 25.23 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.524 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -24.76 73.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.833 2.356 . . . . 0.0 112.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.7 79.22 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -70.25 -24.43 63.07 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.96 138.74 18.76 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.579 2.186 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.25 137.41 70.63 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.83 2.353 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.8 102.08 1.53 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.741 2.294 . . . . 0.0 112.352 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 p -156.28 61.73 0.56 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.94 25.11 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.091 0.245 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -64.5 -39.0 92.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.896 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -37.01 86.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -55.8 -43.71 77.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -35.62 81.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.66 78.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.518 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -72.56 -14.95 61.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.565 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 -130.38 28.96 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.12 -23.47 66.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.753 2.302 . . . . 0.0 113.078 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.33 74.16 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p -73.17 -22.67 60.45 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 58.2 Cg_endo -71.92 126.93 12.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.545 2.163 . . . . 0.0 112.512 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 17.6 Cg_endo -57.01 138.21 85.31 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.987 2.458 . . . . 0.0 112.229 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.46 143.71 27.97 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.754 2.303 . . . . 0.0 112.571 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -140.25 -59.03 0.54 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 122.412 -0.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.53 85.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.569 0.223 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.8 -40.87 98.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.79 85.89 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.838 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.0 -38.44 90.97 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.607 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -54.97 -44.53 74.48 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.21 -38.26 89.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.979 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.05 75.15 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.548 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.74 -15.13 61.67 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.532 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.65 -129.38 27.65 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.541 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.98 -24.84 73.96 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.803 2.336 . . . . 0.0 113.025 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.83 -38.48 79.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.9 p -66.9 -26.37 66.84 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.3 Cg_endo -71.45 129.15 15.39 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.449 2.099 . . . . 0.0 112.366 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.4 Cg_endo -54.95 144.04 69.68 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.908 2.406 . . . . 0.0 112.295 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.99 109.06 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.959 2.439 . . . . 0.0 112.704 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.26 133.95 7.98 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.055 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.621 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.78 -66.54 0.12 Allowed 'General case' 0 C--O 1.232 0.168 0 O-C-N 123.18 0.3 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -67.38 -41.18 85.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.15 96.01 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.751 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.44 -37.92 88.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.28 -43.32 74.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.752 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.46 -36.97 85.47 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.86 75.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.693 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.5 -14.99 61.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.658 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.6 -129.79 22.53 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.356 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.09 -25.08 73.2 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.667 2.244 . . . . 0.0 112.909 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.78 79.95 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.7 p -66.46 -26.77 67.36 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.449 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 51.0 Cg_endo -70.36 126.0 12.44 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.494 2.129 . . . . 0.0 112.376 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.1 Cg_endo -55.97 137.14 78.1 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.938 2.425 . . . . 0.0 112.206 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -75.35 126.81 9.99 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.57 2.18 . . . . 0.0 112.328 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 p -153.13 145.35 23.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.664 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.59 36.65 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.04 0.213 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -64.84 -39.99 94.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.963 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.61 97.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.923 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -63.72 -38.18 90.13 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.329 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -56.85 -43.46 81.15 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.752 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.58 -36.8 84.81 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.17 76.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.619 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.56 -14.56 61.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.687 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.63 27.28 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 -24.86 74.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.754 2.302 . . . . 0.0 112.856 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.69 80.89 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.2 p -67.67 -26.21 66.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.458 ' HD3' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' HD3' ' A' ' 16' ' ' NVA . 52.3 Cg_endo -69.89 125.39 12.03 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.605 2.203 . . . . 0.0 112.399 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.98 137.89 83.9 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.947 2.432 . . . . 0.0 112.431 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.71 101.54 1.52 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.814 2.343 . . . . 0.0 112.354 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 p -156.88 120.14 4.14 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.681 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.92 -59.19 2.04 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.033 0.208 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -68.18 -41.91 80.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.9 94.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -65.86 -38.3 88.45 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.484 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 45.3 t90 -55.07 -42.65 73.03 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.771 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.46 -39.17 91.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.67 -34.54 74.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.511 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -73.48 -15.06 61.33 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.706 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.484 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 69.47 -127.32 20.13 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.34 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.24 -24.8 76.37 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.748 2.299 . . . . 0.0 112.678 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.51 84.43 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.0 p -67.62 -26.47 66.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.455 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 75.3 Cg_exo -48.49 117.0 2.35 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.617 2.211 . . . . 0.0 112.569 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 10.7 Cg_endo -52.9 135.99 59.13 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.156 2.57 . . . . 0.0 112.36 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 114.49 4.05 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 m -130.11 -58.84 1.06 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.828 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.67 -64.17 0.05 OUTLIER 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.137 0.273 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -63.15 -40.99 99.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.084 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.82 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -38.05 89.67 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.381 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -56.89 -44.02 81.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -37.07 86.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.81 76.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.537 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.74 -14.68 61.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.55 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.54 -129.56 25.29 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.442 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.22 -24.65 72.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.728 2.285 . . . . 0.0 113.035 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.84 78.87 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 p -68.21 -25.48 65.23 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.12 123.56 10.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.608 2.205 . . . . 0.0 112.641 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.93 139.82 91.7 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.915 2.41 . . . . 0.0 112.292 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.07 83.56 2.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.79 2.326 . . . . 0.0 112.214 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -138.97 60.67 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.63 -67.89 0.37 Allowed 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.033 0.208 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.37 -40.74 93.92 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.042 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.42 93.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -38.18 88.42 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.538 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -54.75 -43.31 72.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.18 89.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.4 77.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.334 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.9 -14.8 62.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.59 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.53 -129.11 24.97 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.94 -25.14 74.09 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.777 2.318 . . . . 0.0 113.059 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.1 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -65.59 -26.58 67.91 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 52.6 Cg_endo -70.85 126.88 13.03 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.518 2.145 . . . . 0.0 112.515 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.74 137.32 80.75 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.929 2.419 . . . . 0.0 112.149 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.21 115.76 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.525 2.15 . . . . 0.0 112.301 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -134.14 135.57 43.23 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.998 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.652 -0.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.86 -66.27 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 123.185 0.303 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.72 -42.19 86.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.951 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.47 94.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.86 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -64.71 -39.2 93.25 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.376 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.8 t90 -54.77 -43.84 73.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.675 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.36 -39.34 92.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.458 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -73.16 -15.26 61.47 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.552 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 70.17 -129.44 20.58 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.358 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.74 -24.82 74.74 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.766 2.311 . . . . 0.0 112.925 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.98 76.74 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -63.63 -28.39 69.88 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.575 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 45.7 Cg_endo -68.82 125.94 13.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.41 2.073 . . . . 0.0 112.265 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.93 137.86 76.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.959 2.44 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.73 94.03 1.06 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.59 2.193 . . . . 0.0 112.353 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -147.2 100.76 3.32 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.638 -0.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.17 -52.56 33.12 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.656 0.265 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.7 -40.18 96.15 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.005 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.57 91.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.808 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -38.86 91.22 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.84 -42.33 75.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.628 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.06 -38.0 87.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.52 76.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.55 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -71.59 -15.03 62.25 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.521 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -128.74 25.32 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.46 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.98 -24.64 73.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.786 2.324 . . . . 0.0 112.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.73 75.57 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p -67.65 -26.27 66.14 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.84 125.84 11.99 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.519 2.146 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.41 144.48 72.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.943 2.429 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.23 117.43 2.86 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.922 2.415 . . . . 0.0 112.624 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -130.68 -58.47 1.03 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.819 -0.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.22 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.77 -63.95 0.04 OUTLIER 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.115 0.26 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.48 -40.54 95.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.83 97.84 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.915 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.04 -37.92 89.17 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 178.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -56.64 -42.13 78.37 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.87 -36.26 82.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.85 76.52 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.635 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.87 -14.79 61.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.586 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.98 -130.35 27.46 Favored Glycine 0 C--N 1.338 0.69 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.79 -24.34 68.56 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.751 2.3 . . . . 0.0 113.109 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.82 78.01 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -70.28 -24.83 63.11 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.12 125.38 10.83 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.666 2.244 . . . . 0.0 112.622 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.89 137.7 81.42 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.919 2.413 . . . . 0.0 112.357 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.64 106.03 2.11 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.721 2.281 . . . . 0.0 112.446 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -147.63 126.22 12.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.641 -0.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.68 -67.71 0.25 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.657 0.383 . . . . 0.0 111.536 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.69 -40.45 95.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.0 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.55 96.92 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.809 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -38.58 91.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -55.86 -42.99 76.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 179.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.68 -37.9 87.76 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.24 75.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.536 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.1 -15.07 61.5 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.655 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -128.91 27.67 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.53 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.26 -24.47 72.17 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.834 2.356 . . . . 0.0 112.923 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.61 77.95 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.8 p -69.05 -24.28 64.15 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.42 123.52 10.3 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.503 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.93 138.45 86.04 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.991 2.46 . . . . 0.0 112.268 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.63 82.45 2.28 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.631 2.221 . . . . 0.0 112.311 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -148.13 129.85 15.1 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.611 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.79 36.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.618 0.247 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.0 -40.26 95.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.4 92.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.85 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -39.14 93.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.335 178.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -56.14 -43.23 78.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.676 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.55 -35.7 81.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.994 179.453 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.3 76.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.839 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.16 -14.56 60.97 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.26 -127.52 26.93 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.293 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.88 -25.13 74.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.746 2.297 . . . . 0.0 112.853 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.3 82.6 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.2 p -67.48 -26.96 66.62 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.526 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 55.5 Cg_endo -69.83 124.53 11.15 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.541 2.16 . . . . 0.0 112.163 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -55.97 140.18 85.7 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.955 2.437 . . . . 0.0 112.471 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -53.02 119.31 5.89 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.022 2.481 . . . . 0.0 112.565 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -143.42 62.99 1.37 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.56 -54.73 6.52 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.557 0.217 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -65.5 -39.89 92.38 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.996 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.28 96.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -65.9 -38.25 88.25 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.45 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -55.48 -41.94 73.69 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.611 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.25 -36.76 83.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.23 76.0 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.742 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.55 -14.99 61.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.525 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -129.61 28.9 Favored Glycine 0 C--N 1.34 0.78 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.627 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -24.31 71.87 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.757 2.304 . . . . 0.0 112.967 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.56 74.43 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.1 p -68.73 -26.24 65.15 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.82 127.11 12.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.561 2.174 . . . . 0.0 112.616 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.31 136.73 76.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.844 2.362 . . . . 0.0 112.128 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 128.23 15.47 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 m -135.69 56.52 1.83 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.6 -59.81 2.11 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.547 0.213 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -67.81 -40.5 83.85 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.069 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.69 89.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.986 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.93 -36.77 84.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -56.7 -42.52 79.26 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.72 -36.06 82.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.067 179.442 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.12 73.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.637 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.19 -14.97 61.46 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.87 -131.96 28.7 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.731 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.92 -24.51 67.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.859 2.373 . . . . 0.0 113.184 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.62 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p -67.95 -25.3 65.38 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.58 126.4 11.46 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.615 2.21 . . . . 0.0 112.498 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.2 Cg_endo -58.4 142.29 97.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.942 2.428 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.5 Cg_exo -53.27 116.57 3.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.873 2.382 . . . . 0.0 112.478 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -94.75 135.07 36.66 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.617 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.84 -51.36 49.36 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.533 0.206 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.08 -40.47 94.68 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.987 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.09 99.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.984 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.68 88.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.407 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.79 -43.18 72.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.656 179.331 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.32 -37.66 87.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.04 76.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.5 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.26 -15.15 61.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.495 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 65.03 -129.26 34.97 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.474 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.44 -23.93 71.11 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.767 2.311 . . . . 0.0 112.921 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.12 75.7 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 p -71.87 -23.41 61.5 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.538 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 47.5 Cg_endo -69.57 124.18 10.9 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.51 2.14 . . . . 0.0 112.533 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.8 Cg_endo -56.71 137.8 82.59 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.878 2.385 . . . . 0.0 112.374 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.12 117.05 4.04 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -148.95 -59.52 0.22 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 O-C-N 122.394 -0.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.233 0.191 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.75 -68.84 0.21 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.646 0.378 . . . . 0.0 111.318 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -69.11 -40.67 78.2 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.56 94.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.808 179.461 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.4 -36.45 81.33 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -56.71 -41.83 78.1 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.34 -37.42 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.338 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.79 74.15 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.75 -14.8 61.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.599 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.11 -131.15 25.0 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.553 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.63 -24.94 69.39 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.799 2.332 . . . . 0.0 113.099 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.16 82.73 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p -66.53 -25.93 66.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.54 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 54.4 Cg_endo -70.79 125.3 11.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.525 2.15 . . . . 0.0 112.691 -179.694 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.3 136.33 71.51 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.817 2.345 . . . . 0.0 112.207 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 107.96 2.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -144.17 103.91 4.05 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.654 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.56 -69.03 0.44 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.087 0.242 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -63.83 -40.9 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.928 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.86 96.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.691 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.17 83.18 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 179.02 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.7 -44.18 90.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.591 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.45 -34.67 78.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -36.54 77.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.704 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.92 -14.94 61.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.642 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.88 -130.54 25.13 Favored Glycine 0 C--N 1.339 0.714 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.27 -24.27 72.12 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.815 2.343 . . . . 0.0 112.95 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.73 76.28 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.544 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p -68.14 -26.23 65.68 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.459 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 48.6 Cg_endo -69.58 124.51 11.23 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.559 2.173 . . . . 0.0 112.742 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.1 140.75 95.25 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.999 2.466 . . . . 0.0 112.561 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.37 79.16 3.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.915 2.41 . . . . 0.0 112.228 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -112.98 -56.15 2.45 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.799 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.33 -58.79 2.69 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.622 0.249 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.47 -40.08 85.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.12 97.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.959 179.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -53.26 -43.78 67.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.14 -39.39 92.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.826 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.51 75.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.65 -15.22 61.72 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.447 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.95 -130.09 21.88 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.528 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.43 -24.86 70.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.748 2.298 . . . . 0.0 113.016 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.2 76.03 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -67.75 -26.68 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.7 Cg_endo -71.07 126.19 12.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.537 2.158 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -56.44 136.49 75.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.953 2.435 . . . . 0.0 112.415 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.82 141.04 21.21 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.756 2.304 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -140.92 145.68 36.4 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.717 -0.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.68 59.27 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.035 0.209 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.951 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.86 89.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.81 179.523 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.84 88.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.076 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -56.55 -43.41 79.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.711 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.12 -37.09 86.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.73 75.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.591 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.82 -14.92 61.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.61 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -129.36 28.59 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.462 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.85 -24.18 68.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.815 2.343 . . . . 0.0 112.991 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.98 -40.49 78.79 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -68.73 -24.78 64.5 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.449 ' HD3' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD2' ' HD3' ' A' ' 16' ' ' NVA . 54.2 Cg_endo -70.32 124.35 10.77 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.588 2.192 . . . . 0.0 112.627 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.8 Cg_endo -57.28 142.44 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.949 2.433 . . . . 0.0 112.48 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.7 Cg_exo -53.32 121.47 9.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.971 2.448 . . . . 0.0 112.498 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.9 p -149.17 147.68 28.73 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.97 75.29 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.045 0.216 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.41 -40.41 89.55 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.005 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.25 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.949 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -38.25 88.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.438 179.097 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.439 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.1 t90 -55.58 -42.68 75.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.15 -37.47 87.52 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 179.32 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.09 77.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.609 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -73.08 -14.39 61.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.659 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 67.7 -127.3 25.46 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.418 -179.704 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.87 -24.49 74.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.784 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.25 76.6 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.742 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -69.79 -26.38 64.24 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.469 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 58.2 Cg_endo -72.26 136.14 26.09 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.541 2.16 . . . . 0.0 112.399 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.43 135.56 70.64 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.888 2.392 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 138.93 20.91 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.819 2.346 . . . . 0.0 112.309 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -137.68 131.5 31.53 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.673 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.71 -62.61 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.182 0.301 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.15 -40.7 94.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.298 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.69 -40.38 83.44 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.058 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.77 -37.67 85.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.4 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.97 -43.28 73.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.804 179.385 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -38.2 89.8 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.025 179.344 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.84 74.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.541 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.21 -14.88 61.43 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.525 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 68.04 -130.1 27.09 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.495 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.37 -24.61 71.32 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.799 2.333 . . . . 0.0 112.981 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.32 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.563 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p -69.99 -25.39 63.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 16' ' ' NVA . . . . . 0.561 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 40.5 Cg_endo -67.85 122.8 9.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.426 2.084 . . . . 0.0 112.331 -179.821 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.1 Cg_endo -55.38 143.29 77.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.945 2.43 . . . . 0.0 112.663 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -52.63 116.2 2.72 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.063 2.509 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -127.21 -57.13 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.796 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.576 0.227 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -66.78 -41.56 87.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.07 92.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.89 -40.02 94.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.452 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -53.3 -43.49 67.58 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.698 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.76 -39.59 91.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.838 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.62 75.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.425 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 CA--C 1.536 0.41 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.577 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.288 0 CA-C-O 120.163 -0.243 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.18 -24.62 72.69 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.762 2.308 . . . . 0.0 112.897 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.8 75.83 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 111.471 0.175 . . . . 0.0 111.471 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 60.4 Cg_endo . . . . . 0 CA--C 1.531 0.33 0 CA-C-O 120.545 0.144 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.0 Cg_endo -55.02 137.33 76.12 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.911 2.407 . . . . 0.0 112.287 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 122.56 2.173 . . . . 0.0 112.549 -179.781 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.556 0.217 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -64.39 -39.44 93.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.04 95.27 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.005 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.37 87.37 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.529 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.88 -43.64 77.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.45 -36.4 83.78 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.29 75.26 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.686 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.57 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 CA-C-O 120.21 -0.216 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.73 -24.69 68.8 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 122.862 2.375 . . . . 0.0 113.157 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.47 80.62 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.531 0.339 0 N-CA-C 112.608 0.195 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.06 137.83 82.84 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.951 2.434 . . . . 0.0 112.217 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo . . . . . 0 C--N 1.349 0.571 0 C-N-CA 122.703 2.268 . . . . 0.0 112.57 -179.834 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.34 -40.22 95.44 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.0 97.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.888 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -64.68 -36.63 84.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.47 -35.67 80.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -36.04 76.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.64 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.275 0 CA-C-O 119.998 -0.334 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.95 -25.16 74.08 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.67 2.247 . . . . 0.0 113.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.28 83.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.2 Cg_endo . . . . . 0 CA--C 1.531 0.326 0 N-CA-C 112.618 0.199 . . . . 0.0 112.618 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.0 Cg_endo -55.68 136.87 76.32 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.002 2.468 . . . . 0.0 112.511 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--N 1.348 0.512 0 C-N-CA 122.794 2.329 . . . . 0.0 112.48 -179.852 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.513 0.197 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -66.45 -41.17 89.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.18 96.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.749 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -37.46 87.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.95 -43.47 77.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.53 -36.42 83.75 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.955 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.8 75.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.71 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.535 0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.538 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.386 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.01 -25.18 73.81 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.799 2.332 . . . . 0.0 112.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.69 78.68 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 112.461 0.139 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.6 138.03 84.18 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.875 2.383 . . . . 0.0 112.315 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.348 0.501 0 C-N-CA 122.596 2.197 . . . . 0.0 112.493 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.486 0.184 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.81 -41.41 97.9 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.14 92.53 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.659 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -39.28 93.73 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.398 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -54.96 -43.58 73.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.58 -38.79 90.52 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.907 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.69 75.83 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.411 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 CA--C 1.535 0.399 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.541 179.684 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.01 -23.92 67.34 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.727 2.284 . . . . 0.0 113.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.3 75.99 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo . . . . . 0 CA--C 1.532 0.4 0 N-CA-C 112.544 0.171 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.64 139.24 89.59 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.877 2.384 . . . . 0.0 112.084 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 C--N 1.349 0.581 0 C-N-CA 122.558 2.172 . . . . 0.0 112.548 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.574 0.226 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.41 -40.59 93.58 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.964 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.51 94.0 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -65.9 -37.99 87.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.421 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -56.24 -42.25 77.03 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.608 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.37 -38.13 86.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.33 74.57 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.602 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.546 179.775 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.345 0 CA-C-O 120.153 -0.249 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.42 -24.47 71.05 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.857 2.371 . . . . 0.0 113.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.0 77.82 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.53 0.325 0 CA-C-O 120.66 0.192 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.83 137.09 79.33 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.948 2.432 . . . . 0.0 112.167 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.349 0.579 0 C-N-CA 122.651 2.234 . . . . 0.0 112.5 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.645 0.26 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -64.58 -40.24 95.18 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.983 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.04 97.01 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.39 90.89 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.445 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -55.52 -43.95 76.22 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.598 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.45 -36.36 83.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.49 78.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.552 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.584 179.742 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 CA-C-O 120.199 -0.223 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.56 -24.35 70.15 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.357 . . . . 0.0 113.061 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.25 78.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 112.561 0.177 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.53 137.74 71.33 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.853 2.369 . . . . 0.0 112.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--N 1.349 0.561 0 C-N-CA 122.682 2.254 . . . . 0.0 112.421 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.27 -39.97 95.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.956 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.44 97.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.825 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -38.01 89.51 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.455 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -55.75 -43.04 76.28 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.1 -38.1 87.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.75 75.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.529 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.58 179.652 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.323 0 CA-C-O 120.161 -0.244 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.56 -24.03 70.26 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.809 2.339 . . . . 0.0 113.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.54 76.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.531 0.374 0 N-CA-C 112.666 0.218 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.82 137.78 82.79 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.927 2.418 . . . . 0.0 112.194 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 C--N 1.348 0.525 0 C-N-CA 122.685 2.256 . . . . 0.0 112.42 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.512 0.196 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.52 -39.89 94.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.947 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.47 97.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.936 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.22 86.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.331 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -57.18 -42.92 82.1 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.78 -33.9 77.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.05 78.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.614 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 CA--C 1.535 0.4 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.638 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.392 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.06 -24.07 66.86 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.05 79.47 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.3 p . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 112.732 0.243 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.83 139.46 88.44 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.986 2.458 . . . . 0.0 112.215 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.349 0.564 0 C-N-CA 122.713 2.275 . . . . 0.0 112.467 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.518 0.199 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.74 -40.41 95.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.255 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.974 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.36 -38.45 91.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 51.4 t90 -55.31 -42.86 74.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.88 -38.83 89.83 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.768 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.06 75.38 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.541 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.549 179.641 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.52 0.346 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -24.55 73.9 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.715 2.277 . . . . 0.0 112.943 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.21 77.33 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 42.0 Cg_endo . . . . . 0 CA--C 1.531 0.36 0 CA-C-O 120.637 0.182 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.42 139.93 74.12 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.131 2.554 . . . . 0.0 112.451 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo . . . . . 0 C--N 1.348 0.526 0 C-N-CA 122.815 2.344 . . . . 0.0 112.549 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.375 0.131 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.65 -41.78 78.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.844 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.33 97.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.588 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -64.63 -38.54 91.35 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.435 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 46.6 t90 -56.21 -43.62 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.91 -36.76 85.41 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.77 77.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 CA--C 1.534 0.356 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.502 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.336 0 CA-C-O 120.167 -0.241 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -24.76 73.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.833 2.356 . . . . 0.0 112.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.7 79.22 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.531 0.347 0 N-CA-C 112.504 0.155 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.25 137.41 70.63 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.83 2.353 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo . . . . . 0 C--N 1.347 0.482 0 C-N-CA 122.741 2.294 . . . . 0.0 112.352 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.512 0.196 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -64.5 -39.0 92.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.896 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -37.01 86.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -55.8 -43.71 77.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -35.62 81.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.66 78.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.518 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 CA--C 1.535 0.395 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.565 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.12 -23.47 66.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.753 2.302 . . . . 0.0 113.078 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.33 74.16 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 58.2 Cg_endo . . . . . 0 CA--C 1.53 0.306 0 CA-C-O 120.655 0.19 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 17.6 Cg_endo -57.01 138.21 85.31 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.987 2.458 . . . . 0.0 112.229 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--N 1.348 0.509 0 C-N-CA 122.754 2.303 . . . . 0.0 112.571 -179.76 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.569 0.223 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.8 -40.87 98.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.79 85.89 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.838 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.0 -38.44 90.97 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.607 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -54.97 -44.53 74.48 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.21 -38.26 89.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.979 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.05 75.15 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.548 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 CA--C 1.534 0.341 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.532 179.701 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 CA-C-O 120.11 -0.272 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.98 -24.84 73.96 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.803 2.336 . . . . 0.0 113.025 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.83 -38.48 79.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 N--CA 1.464 0.238 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.3 Cg_endo . . . . . 0 CA--C 1.531 0.34 0 CA-C-O 120.505 0.127 . . . . 0.0 112.366 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.4 Cg_endo -54.95 144.04 69.68 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.908 2.406 . . . . 0.0 112.295 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 122.959 2.439 . . . . 0.0 112.704 -179.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.512 0.196 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -67.38 -41.18 85.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.15 96.01 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.751 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.44 -37.92 88.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.28 -43.32 74.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.752 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.46 -36.97 85.47 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.86 75.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.693 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.658 179.725 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 N-CA-C 112.356 -0.298 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.09 -25.08 73.2 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.667 2.244 . . . . 0.0 112.909 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.78 79.95 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 51.0 Cg_endo . . . . . 0 CA--C 1.531 0.326 0 CA-C-O 120.504 0.127 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.1 Cg_endo -55.97 137.14 78.1 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.938 2.425 . . . . 0.0 112.206 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.349 0.577 0 C-N-CA 122.57 2.18 . . . . 0.0 112.328 -179.698 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.483 0.182 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -64.84 -39.99 94.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.963 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.61 97.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.923 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -63.72 -38.18 90.13 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.329 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -56.85 -43.46 81.15 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.752 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.58 -36.8 84.81 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.17 76.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.619 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.467 0.394 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.687 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.289 0 CA-C-O 120.077 -0.291 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 -24.86 74.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.754 2.302 . . . . 0.0 112.856 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.69 80.89 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 52.3 Cg_endo . . . . . 0 CA--C 1.531 0.341 0 CA-C-O 120.564 0.152 . . . . 0.0 112.399 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.98 137.89 83.9 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.947 2.432 . . . . 0.0 112.431 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.35 0.62 0 C-N-CA 122.814 2.343 . . . . 0.0 112.354 -179.87 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.518 0.199 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -68.18 -41.91 80.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.9 94.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -65.86 -38.3 88.45 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.484 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 45.3 t90 -55.07 -42.65 73.03 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.771 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.46 -39.17 91.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.67 -34.54 74.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.511 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.706 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.484 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.341 0 N-CA-C 112.34 -0.304 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.24 -24.8 76.37 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.748 2.299 . . . . 0.0 112.678 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.51 84.43 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.455 179.865 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 75.3 Cg_exo . . . . . 0 CA--C 1.532 0.399 0 N-CA-C 112.569 0.181 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 10.7 Cg_endo -52.9 135.99 59.13 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.156 2.57 . . . . 0.0 112.36 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.349 0.575 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.467 0.175 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -63.15 -40.99 99.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.084 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.82 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -38.05 89.67 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.381 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -56.89 -44.02 81.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -37.07 86.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.81 76.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.537 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.55 179.703 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.22 -24.65 72.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.728 2.285 . . . . 0.0 113.035 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.84 78.87 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 p . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 CA--C 1.531 0.34 0 N-CA-C 112.641 0.208 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.93 139.82 91.7 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.915 2.41 . . . . 0.0 112.292 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.79 2.326 . . . . 0.0 112.214 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.455 0.169 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.37 -40.74 93.92 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.042 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.42 93.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -38.18 88.42 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.538 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -54.75 -43.31 72.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.18 89.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.4 77.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.334 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.59 179.778 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.334 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.94 -25.14 74.09 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.777 2.318 . . . . 0.0 113.059 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.1 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 52.6 Cg_endo . . . . . 0 CA--C 1.53 0.305 0 CA-C-O 120.629 0.179 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.74 137.32 80.75 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.929 2.419 . . . . 0.0 112.149 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--N 1.349 0.582 0 C-N-CA 122.525 2.15 . . . . 0.0 112.301 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.458 0.17 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.72 -42.19 86.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.951 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.47 94.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.86 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -64.71 -39.2 93.25 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.376 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.8 t90 -54.77 -43.84 73.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.675 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.36 -39.34 92.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.458 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.552 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.52 0.396 0 N-CA-C 112.358 -0.297 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.74 -24.82 74.74 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.766 2.311 . . . . 0.0 112.925 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.98 76.74 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 45.7 Cg_endo . . . . . 0 CA--C 1.531 0.365 0 CA-C-O 120.523 0.135 . . . . 0.0 112.265 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.93 137.86 76.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.959 2.44 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 122.59 2.193 . . . . 0.0 112.353 -179.835 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.656 0.265 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.7 -40.18 96.15 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.005 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.57 91.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.808 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -38.86 91.22 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.84 -42.33 75.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.628 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.06 -38.0 87.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.52 76.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.55 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 CA--C 1.536 0.414 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.521 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.304 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.98 -24.64 73.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.786 2.324 . . . . 0.0 112.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.73 75.57 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.465 0.288 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 CA--C 1.531 0.344 0 CA-C-O 120.549 0.145 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.41 144.48 72.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.943 2.429 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--N 1.351 0.677 0 C-N-CA 122.922 2.415 . . . . 0.0 112.624 -179.958 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.553 0.216 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.48 -40.54 95.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.83 97.84 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.915 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.04 -37.92 89.17 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 178.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -56.64 -42.13 78.37 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.87 -36.26 82.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.85 76.52 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.635 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.586 179.751 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.79 -24.34 68.56 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.751 2.3 . . . . 0.0 113.109 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.82 78.01 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.996 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 CA--C 1.531 0.359 0 N-CA-C 112.622 0.201 . . . . 0.0 112.622 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.89 137.7 81.42 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.919 2.413 . . . . 0.0 112.357 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--N 1.348 0.552 0 C-N-CA 122.721 2.281 . . . . 0.0 112.446 -179.834 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.69 -40.45 95.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.0 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.55 96.92 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.809 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -38.58 91.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -55.86 -42.99 76.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 179.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.68 -37.9 87.76 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.24 75.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.536 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.655 179.756 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.326 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.26 -24.47 72.17 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.834 2.356 . . . . 0.0 112.923 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.61 77.95 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 CA--C 1.53 0.298 0 N-CA-C 112.503 0.155 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.93 138.45 86.04 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.991 2.46 . . . . 0.0 112.268 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.348 0.52 0 C-N-CA 122.631 2.221 . . . . 0.0 112.311 179.984 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.618 0.247 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.0 -40.26 95.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.4 92.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.85 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -39.14 93.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.335 178.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -56.14 -43.23 78.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.676 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.55 -35.7 81.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.994 179.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.3 76.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.839 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.84 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.337 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.88 -25.13 74.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.746 2.297 . . . . 0.0 112.853 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.3 82.6 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.2 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.526 179.929 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 55.5 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 CA-C-O 120.575 0.156 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -55.97 140.18 85.7 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.955 2.437 . . . . 0.0 112.471 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo . . . . . 0 C--N 1.35 0.652 0 C-N-CA 123.022 2.481 . . . . 0.0 112.565 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.557 0.217 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -65.5 -39.89 92.38 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.996 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.28 96.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -65.9 -38.25 88.25 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.45 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -55.48 -41.94 73.69 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.611 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.25 -36.76 83.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.23 76.0 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.742 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.534 0.359 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.525 179.657 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.301 0 CA-C-O 120.194 -0.225 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -24.31 71.87 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.757 2.304 . . . . 0.0 112.967 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.56 74.43 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.971 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 CA--C 1.531 0.332 0 N-CA-C 112.616 0.199 . . . . 0.0 112.616 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.31 136.73 76.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.844 2.362 . . . . 0.0 112.128 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.348 0.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.413 -179.843 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.547 0.213 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -67.81 -40.5 83.85 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.069 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.69 89.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.986 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.93 -36.77 84.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -56.7 -42.52 79.26 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.72 -36.06 82.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.067 179.442 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.12 73.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.637 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.852 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.322 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.92 -24.51 67.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.859 2.373 . . . . 0.0 113.184 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.62 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.886 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.53 0.321 0 CA-C-O 120.595 0.164 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.2 Cg_endo -58.4 142.29 97.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.942 2.428 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.5 Cg_exo . . . . . 0 C--N 1.35 0.617 0 C-N-CA 122.873 2.382 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.533 0.206 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.08 -40.47 94.68 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.987 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.09 99.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.984 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.68 88.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.407 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.79 -43.18 72.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.656 179.331 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.32 -37.66 87.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.04 76.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.5 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.495 179.658 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.518 0.27 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.44 -23.93 71.11 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.767 2.311 . . . . 0.0 112.921 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.12 75.7 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 47.5 Cg_endo . . . . . 0 CA--C 1.53 0.298 0 CA-C-O 120.611 0.171 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.8 Cg_endo -56.71 137.8 82.59 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.878 2.385 . . . . 0.0 112.374 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.348 0.522 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.873 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.423 0.154 . . . . 0.0 111.318 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -69.11 -40.67 78.2 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.56 94.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.808 179.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.4 -36.45 81.33 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -56.71 -41.83 78.1 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.34 -37.42 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.79 74.15 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.599 179.67 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.19 -0.228 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.63 -24.94 69.39 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.799 2.332 . . . . 0.0 113.099 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.16 82.73 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.871 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 112.691 0.227 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.3 136.33 71.51 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.817 2.345 . . . . 0.0 112.207 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--N 1.349 0.597 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.909 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.457 0.17 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -63.83 -40.9 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.928 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.86 96.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.691 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.17 83.18 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 179.02 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.7 -44.18 90.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.591 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.45 -34.67 78.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -36.54 77.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.704 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.642 179.847 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.27 -24.27 72.12 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.815 2.343 . . . . 0.0 112.95 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.73 76.28 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.936 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo . . . . . 0 CA--C 1.532 0.379 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.1 140.75 95.25 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.999 2.466 . . . . 0.0 112.561 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.915 2.41 . . . . 0.0 112.228 179.993 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.622 0.249 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.47 -40.08 85.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.12 97.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.959 179.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -53.26 -43.78 67.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.14 -39.39 92.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.826 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.51 75.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 CA--C 1.536 0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.447 179.625 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.285 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.43 -24.86 70.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.748 2.298 . . . . 0.0 113.016 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.2 76.03 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.967 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.7 Cg_endo . . . . . 0 CA--C 1.531 0.344 0 N-CA-C 112.483 0.147 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -56.44 136.49 75.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.953 2.435 . . . . 0.0 112.415 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--N 1.349 0.565 0 C-N-CA 122.756 2.304 . . . . 0.0 112.523 -179.912 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.493 0.187 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.951 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.86 89.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.81 179.523 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.84 88.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.076 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -56.55 -43.41 79.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.711 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.12 -37.09 86.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.73 75.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.591 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.466 0.325 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.61 179.722 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.344 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.85 -24.18 68.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.815 2.343 . . . . 0.0 112.991 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.98 -40.49 78.79 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.991 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo . . . . . 0 CA--C 1.531 0.336 0 N-CA-C 112.627 0.203 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.8 Cg_endo -57.28 142.44 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.949 2.433 . . . . 0.0 112.48 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.7 Cg_exo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.971 2.448 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.51 0.195 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.41 -40.41 89.55 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.005 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.25 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.949 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -38.25 88.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.438 179.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.439 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.1 t90 -55.58 -42.68 75.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.15 -37.47 87.52 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 179.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.09 77.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.609 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.659 179.793 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.334 0 CA-C-O 120.06 -0.3 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.87 -24.49 74.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.784 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.25 76.6 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.742 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 179.931 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.595 0.165 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.43 135.56 70.64 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.888 2.392 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.819 2.346 . . . . 0.0 112.309 179.911 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.504 0.192 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.15 -40.7 94.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.298 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.69 -40.38 83.44 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.058 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.77 -37.67 85.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.4 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.97 -43.28 73.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.804 179.385 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -38.2 89.8 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.025 179.344 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.84 74.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.541 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 CA--C 1.536 0.411 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.525 179.778 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . . . . . . 0 CA--C 1.519 0.321 0 CA-C-O 120.141 -0.255 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.37 -24.61 71.32 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.799 2.333 . . . . 0.0 112.981 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.32 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.563 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.893 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.462 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 40.5 Cg_endo . . . . . 0 CA--C 1.53 0.299 0 CA-C-O 120.583 0.16 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.1 Cg_endo -55.38 143.29 77.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.945 2.43 . . . . 0.0 112.663 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo . . . . . 0 C--N 1.349 0.563 0 C-N-CA 123.063 2.509 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.26 46.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.576 0.227 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -66.78 -41.56 87.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.07 92.84 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.89 -40.02 94.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.452 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -53.3 -43.49 67.58 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.698 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.76 -39.59 91.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.838 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.62 75.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.425 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -72.32 -15.04 61.89 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.577 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.49 -129.95 22.99 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.529 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.18 -24.62 72.69 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.762 2.308 . . . . 0.0 112.897 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.8 75.83 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -65.61 -27.77 68.65 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.471 0.175 . . . . 0.0 111.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 60.4 Cg_endo -72.88 127.89 12.68 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.456 2.104 . . . . 0.0 112.357 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.0 Cg_endo -55.02 137.33 76.12 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.911 2.407 . . . . 0.0 112.287 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -74.36 131.63 15.34 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.56 2.173 . . . . 0.0 112.549 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -114.59 -56.51 2.38 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 122.436 -0.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.89 -65.35 0.07 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.556 0.217 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -64.39 -39.44 93.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.04 95.27 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.005 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.37 87.37 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.529 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.88 -43.64 77.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.45 -36.4 83.78 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.29 75.26 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.686 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.19 -15.02 61.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.57 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -131.45 22.8 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.593 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.73 -24.69 68.8 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 122.862 2.375 . . . . 0.0 113.157 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.47 80.62 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.4 p -67.54 -25.03 65.61 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.557 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 55.9 Cg_endo -71.03 127.03 13.07 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.595 2.197 . . . . 0.0 112.608 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.06 137.83 82.84 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.951 2.434 . . . . 0.0 112.217 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.78 149.62 43.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.703 2.268 . . . . 0.0 112.57 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.1 m -119.5 127.93 53.5 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.649 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.234 0.261 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.43 -68.45 0.22 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.329 0.393 . . . . 0.0 111.505 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.34 -40.22 95.44 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.172 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.0 97.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.888 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -64.68 -36.63 84.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.645 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.47 -35.67 80.85 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -36.04 76.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.64 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.69 -14.27 61.12 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.77 -128.37 29.2 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.4 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.95 -25.16 74.08 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.67 2.247 . . . . 0.0 113.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.28 83.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p -69.75 -25.07 63.65 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.2 Cg_endo -70.8 125.95 12.12 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.59 2.194 . . . . 0.0 112.618 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.0 Cg_endo -55.68 136.87 76.32 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.002 2.468 . . . . 0.0 112.511 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.53 128.35 9.47 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.794 2.329 . . . . 0.0 112.48 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -147.16 124.83 11.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.715 -0.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.94 -49.03 61.57 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.028 0.205 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -66.45 -41.17 89.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.18 96.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.749 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -37.46 87.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.95 -43.47 77.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.53 -36.42 83.75 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.955 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.8 75.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.71 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.8 -15.51 61.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.538 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.09 -130.04 21.47 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.436 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.01 -25.18 73.81 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.799 2.332 . . . . 0.0 112.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.69 78.68 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.0 p -66.45 -27.03 67.5 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.59 127.26 12.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.569 2.179 . . . . 0.0 112.461 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.6 138.03 84.18 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.875 2.383 . . . . 0.0 112.315 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.4 135.51 18.45 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.596 2.197 . . . . 0.0 112.493 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -103.29 118.28 36.4 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.619 -0.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.8 -49.12 32.53 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.112 0.258 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.81 -41.41 97.9 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.14 92.53 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.659 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -39.28 93.73 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.398 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -54.96 -43.58 73.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.732 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.58 -38.79 90.52 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.907 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.69 75.83 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.411 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -72.52 -15.16 61.78 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.541 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.39 -129.9 31.55 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.522 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.01 -23.92 67.34 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.727 2.284 . . . . 0.0 113.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.3 75.99 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p -71.94 -23.43 61.46 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.2 130.36 13.0 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.552 2.168 . . . . 0.0 112.544 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.64 139.24 89.59 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.877 2.384 . . . . 0.0 112.084 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -74.44 139.02 25.34 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.558 2.172 . . . . 0.0 112.548 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -135.98 115.94 13.22 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.224 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.6 -52.57 14.93 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.574 0.226 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -65.41 -40.59 93.58 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.964 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.51 94.0 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -65.9 -37.99 87.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.421 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -56.24 -42.25 77.03 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.608 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.37 -38.13 86.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.33 74.57 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.602 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.86 -15.05 61.61 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.546 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.71 -130.0 25.16 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.42 -24.47 71.05 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.857 2.371 . . . . 0.0 113.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.0 77.82 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.7 p -66.7 -26.43 67.02 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.417 ' HD3' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HD2' ' HD3' ' A' ' 16' ' ' NVA . 57.8 Cg_endo -71.92 126.95 12.39 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.564 2.176 . . . . 0.0 112.523 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.83 137.09 79.33 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.948 2.432 . . . . 0.0 112.167 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.09 140.81 38.51 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.651 2.234 . . . . 0.0 112.5 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -114.1 62.21 0.66 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.729 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.564 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.97 -50.38 62.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.645 0.26 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -64.58 -40.24 95.18 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.983 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.04 97.01 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.726 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.39 90.89 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.445 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.7 t90 -55.52 -43.95 76.22 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.598 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.45 -36.36 83.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.49 78.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.552 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.05 -14.56 61.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.584 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.69 -130.66 28.45 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.583 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.56 -24.35 70.15 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.357 . . . . 0.0 113.061 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.25 78.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -72.53 -23.74 61.04 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 139.3 18.59 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.632 2.221 . . . . 0.0 112.561 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.53 137.74 71.33 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.853 2.369 . . . . 0.0 112.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.02 142.44 42.38 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.682 2.254 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 m -134.13 150.25 51.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.655 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.9 -49.18 60.43 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.103 0.252 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.27 -39.97 95.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.956 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.44 97.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.825 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -38.01 89.51 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.455 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -55.75 -43.04 76.28 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.1 -38.1 87.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.75 75.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.529 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.89 -14.93 61.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.58 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.63 -130.03 30.98 Favored Glycine 0 C--N 1.339 0.713 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.505 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.56 -24.03 70.26 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.809 2.339 . . . . 0.0 113.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.54 76.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -70.73 -24.91 62.72 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.55 127.26 12.28 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.54 2.16 . . . . 0.0 112.666 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.82 137.78 82.79 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.927 2.418 . . . . 0.0 112.194 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.03 106.79 2.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.685 2.256 . . . . 0.0 112.42 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.0 m -145.94 101.54 3.54 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.639 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.22 -52.34 23.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.512 0.196 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.52 -39.89 94.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.947 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.47 97.67 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.936 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.22 86.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.331 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -57.18 -42.92 82.1 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.78 -33.9 77.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.05 78.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.614 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.75 -14.25 61.95 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.638 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.51 -131.14 24.03 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.484 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.06 -24.07 66.86 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.05 79.47 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 76.3 p -72.19 -23.3 61.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.538 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 56.9 Cg_endo -71.29 124.24 10.26 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.606 2.204 . . . . 0.0 112.732 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.83 139.46 88.44 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.986 2.458 . . . . 0.0 112.215 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.82 121.84 6.49 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.713 2.275 . . . . 0.0 112.467 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.69 150.81 28.03 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.587 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.61 -63.24 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.244 0.34 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.74 -40.41 95.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.255 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.974 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.36 -38.45 91.08 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 51.4 t90 -55.31 -42.86 74.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.88 -38.83 89.83 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.768 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.06 75.38 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.541 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.8 -15.01 61.64 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 67.3 -128.21 27.55 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.425 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -24.55 73.9 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.715 2.277 . . . . 0.0 112.943 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.21 77.33 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.5 p -66.7 -26.1 66.86 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.535 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 42.0 Cg_endo -68.64 123.72 10.77 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.607 2.204 . . . . 0.0 112.524 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.42 139.93 74.12 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.131 2.554 . . . . 0.0 112.451 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.85 110.09 2.31 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.815 2.344 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.2 m -148.46 64.01 1.08 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.232 0.168 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.17 -69.41 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.326 0.391 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -68.65 -41.78 78.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.844 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.33 97.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.588 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -64.63 -38.54 91.35 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.435 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 46.6 t90 -56.21 -43.62 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.91 -36.76 85.41 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.77 77.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.75 -15.33 61.66 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.502 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 68.59 -129.67 25.23 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.524 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -24.76 73.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.833 2.356 . . . . 0.0 112.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.7 79.22 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -70.25 -24.43 63.07 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.96 138.74 18.76 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.579 2.186 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.25 137.41 70.63 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.83 2.353 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.8 102.08 1.53 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.741 2.294 . . . . 0.0 112.352 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 p -156.28 61.73 0.56 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.94 25.11 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.091 0.245 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -64.5 -39.0 92.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.139 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.896 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -37.01 86.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -55.8 -43.71 77.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.22 -35.62 81.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.66 78.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.518 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -72.56 -14.95 61.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.565 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.44 -130.38 28.96 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.12 -23.47 66.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.753 2.302 . . . . 0.0 113.078 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.33 74.16 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p -73.17 -22.67 60.45 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 58.2 Cg_endo -71.92 126.93 12.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.545 2.163 . . . . 0.0 112.512 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 17.6 Cg_endo -57.01 138.21 85.31 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.987 2.458 . . . . 0.0 112.229 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.46 143.71 27.97 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.754 2.303 . . . . 0.0 112.571 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -140.25 -59.03 0.54 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 122.412 -0.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.53 85.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.569 0.223 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.8 -40.87 98.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.12 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.79 85.89 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.838 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.0 -38.44 90.97 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.607 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -54.97 -44.53 74.48 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.21 -38.26 89.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.979 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.05 75.15 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.548 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.74 -15.13 61.67 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.532 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.65 -129.38 27.65 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.541 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.98 -24.84 73.96 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.803 2.336 . . . . 0.0 113.025 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.83 -38.48 79.86 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.9 p -66.9 -26.37 66.84 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.3 Cg_endo -71.45 129.15 15.39 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.449 2.099 . . . . 0.0 112.366 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.4 Cg_endo -54.95 144.04 69.68 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.908 2.406 . . . . 0.0 112.295 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.99 109.06 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.959 2.439 . . . . 0.0 112.704 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.26 133.95 7.98 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.055 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.621 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.78 -66.54 0.12 Allowed 'General case' 0 C--O 1.232 0.168 0 O-C-N 123.18 0.3 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -67.38 -41.18 85.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.03 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.15 96.01 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.751 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.44 -37.92 88.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -55.28 -43.32 74.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.752 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.46 -36.97 85.47 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.86 75.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.693 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.5 -14.99 61.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.658 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.6 -129.79 22.53 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.356 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.09 -25.08 73.2 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.667 2.244 . . . . 0.0 112.909 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.78 79.95 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.7 p -66.46 -26.77 67.36 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.449 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 51.0 Cg_endo -70.36 126.0 12.44 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.494 2.129 . . . . 0.0 112.376 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.1 Cg_endo -55.97 137.14 78.1 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.938 2.425 . . . . 0.0 112.206 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -75.35 126.81 9.99 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.57 2.18 . . . . 0.0 112.328 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 p -153.13 145.35 23.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.664 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.59 36.65 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.04 0.213 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -64.84 -39.99 94.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.963 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.61 97.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.923 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -63.72 -38.18 90.13 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.329 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -56.85 -43.46 81.15 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.752 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.58 -36.8 84.81 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.17 76.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.619 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.56 -14.56 61.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.687 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.63 27.28 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 -24.86 74.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.754 2.302 . . . . 0.0 112.856 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.69 80.89 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.2 p -67.67 -26.21 66.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.458 ' HD3' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' HD3' ' A' ' 16' ' ' NVA . 52.3 Cg_endo -69.89 125.39 12.03 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.605 2.203 . . . . 0.0 112.399 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.98 137.89 83.9 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.947 2.432 . . . . 0.0 112.431 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.71 101.54 1.52 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.814 2.343 . . . . 0.0 112.354 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 p -156.88 120.14 4.14 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.681 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.92 -59.19 2.04 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.033 0.208 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -68.18 -41.91 80.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.9 94.74 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -65.86 -38.3 88.45 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.484 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 45.3 t90 -55.07 -42.65 73.03 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.771 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.46 -39.17 91.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.67 -34.54 74.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.511 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -73.48 -15.06 61.33 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.706 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.484 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 69.47 -127.32 20.13 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.34 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.24 -24.8 76.37 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.748 2.299 . . . . 0.0 112.678 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.51 84.43 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.0 p -67.62 -26.47 66.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.455 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 75.3 Cg_exo -48.49 117.0 2.35 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.617 2.211 . . . . 0.0 112.569 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 10.7 Cg_endo -52.9 135.99 59.13 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.156 2.57 . . . . 0.0 112.36 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 114.49 4.05 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 m -130.11 -58.84 1.06 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.828 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.67 -64.17 0.05 OUTLIER 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.137 0.273 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -63.15 -40.99 99.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.084 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.82 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -38.05 89.67 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.381 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -56.89 -44.02 81.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -37.07 86.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.81 76.8 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.537 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.74 -14.68 61.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.55 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.54 -129.56 25.29 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.442 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.22 -24.65 72.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.728 2.285 . . . . 0.0 113.035 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.84 78.87 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 p -68.21 -25.48 65.23 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.12 123.56 10.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.608 2.205 . . . . 0.0 112.641 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.93 139.82 91.7 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.915 2.41 . . . . 0.0 112.292 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.07 83.56 2.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.79 2.326 . . . . 0.0 112.214 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -138.97 60.67 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.63 -67.89 0.37 Allowed 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.033 0.208 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -65.37 -40.74 93.92 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.042 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.42 93.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -38.18 88.42 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.538 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -54.75 -43.31 72.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.18 89.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.4 77.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.334 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.9 -14.8 62.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.59 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.53 -129.11 24.97 Favored Glycine 0 C--N 1.338 0.687 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.94 -25.14 74.09 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.777 2.318 . . . . 0.0 113.059 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.1 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -65.59 -26.58 67.91 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 52.6 Cg_endo -70.85 126.88 13.03 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.518 2.145 . . . . 0.0 112.515 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 14.2 Cg_endo -56.74 137.32 80.75 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.929 2.419 . . . . 0.0 112.149 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.21 115.76 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.525 2.15 . . . . 0.0 112.301 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -134.14 135.57 43.23 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.998 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.652 -0.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.86 -66.27 0.12 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 123.185 0.303 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.72 -42.19 86.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.951 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.47 94.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.86 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -64.71 -39.2 93.25 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.376 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.8 t90 -54.77 -43.84 73.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.675 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.36 -39.34 92.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.458 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -73.16 -15.26 61.47 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.552 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 70.17 -129.44 20.58 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.358 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.74 -24.82 74.74 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.766 2.311 . . . . 0.0 112.925 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.98 76.74 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -63.63 -28.39 69.88 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.575 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 45.7 Cg_endo -68.82 125.94 13.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.41 2.073 . . . . 0.0 112.265 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 11.3 Cg_endo -54.93 137.86 76.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.959 2.44 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.73 94.03 1.06 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.59 2.193 . . . . 0.0 112.353 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -147.2 100.76 3.32 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.638 -0.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.17 -52.56 33.12 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.656 0.265 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.7 -40.18 96.15 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.005 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.57 91.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.808 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -38.86 91.22 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -55.84 -42.33 75.61 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.628 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -66.06 -38.0 87.22 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.52 76.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.55 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -71.59 -15.03 62.25 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.521 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -128.74 25.32 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.46 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.98 -24.64 73.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.786 2.324 . . . . 0.0 112.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.73 75.57 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p -67.65 -26.27 66.14 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.84 125.84 11.99 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.519 2.146 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.41 144.48 72.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.943 2.429 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.23 117.43 2.86 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.922 2.415 . . . . 0.0 112.624 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -130.68 -58.47 1.03 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.819 -0.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.22 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.77 -63.95 0.04 OUTLIER 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.115 0.26 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.48 -40.54 95.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.83 97.84 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.915 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.04 -37.92 89.17 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.322 178.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -56.64 -42.13 78.37 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.87 -36.26 82.93 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.85 76.52 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.635 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.87 -14.79 61.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.586 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.98 -130.35 27.46 Favored Glycine 0 C--N 1.338 0.69 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.79 -24.34 68.56 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.751 2.3 . . . . 0.0 113.109 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.82 78.01 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.3 p -70.28 -24.83 63.11 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.12 125.38 10.83 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.666 2.244 . . . . 0.0 112.622 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.89 137.7 81.42 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.919 2.413 . . . . 0.0 112.357 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.64 106.03 2.11 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.721 2.281 . . . . 0.0 112.446 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -147.63 126.22 12.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.641 -0.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.68 -67.71 0.25 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.657 0.383 . . . . 0.0 111.536 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.69 -40.45 95.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.0 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.55 96.92 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.809 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -38.58 91.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -55.86 -42.99 76.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.614 179.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.68 -37.9 87.76 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.24 75.11 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.536 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.1 -15.07 61.5 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.655 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -128.91 27.67 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.53 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.26 -24.47 72.17 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.834 2.356 . . . . 0.0 112.923 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.61 77.95 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.8 p -69.05 -24.28 64.15 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.42 123.52 10.3 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.503 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.93 138.45 86.04 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.991 2.46 . . . . 0.0 112.268 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.63 82.45 2.28 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.631 2.221 . . . . 0.0 112.311 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -148.13 129.85 15.1 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.611 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.79 36.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.618 0.247 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.0 -40.26 95.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.4 92.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.85 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -39.14 93.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.335 178.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -56.14 -43.23 78.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.676 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.55 -35.7 81.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.994 179.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.3 76.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.839 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.16 -14.56 60.97 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.26 -127.52 26.93 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.293 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.88 -25.13 74.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.746 2.297 . . . . 0.0 112.853 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.3 82.6 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.2 p -67.48 -26.96 66.62 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.526 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 55.5 Cg_endo -69.83 124.53 11.15 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.541 2.16 . . . . 0.0 112.163 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -55.97 140.18 85.7 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.955 2.437 . . . . 0.0 112.471 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -53.02 119.31 5.89 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.022 2.481 . . . . 0.0 112.565 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -143.42 62.99 1.37 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.56 -54.73 6.52 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.557 0.217 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -65.5 -39.89 92.38 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.996 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.28 96.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -65.9 -38.25 88.25 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.45 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -55.48 -41.94 73.69 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.611 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.25 -36.76 83.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.23 76.0 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.742 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.55 -14.99 61.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.525 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -129.61 28.9 Favored Glycine 0 C--N 1.34 0.78 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.627 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -24.31 71.87 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.757 2.304 . . . . 0.0 112.967 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.56 74.43 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 99.1 p -68.73 -26.24 65.15 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.82 127.11 12.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.561 2.174 . . . . 0.0 112.616 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.31 136.73 76.44 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.844 2.362 . . . . 0.0 112.128 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 128.23 15.47 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 m -135.69 56.52 1.83 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.6 -59.81 2.11 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.547 0.213 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -67.81 -40.5 83.85 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.069 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.69 89.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.986 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.93 -36.77 84.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.645 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -56.7 -42.52 79.26 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.72 -36.06 82.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.067 179.442 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.12 73.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.637 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.19 -14.97 61.46 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.87 -131.96 28.7 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.731 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.92 -24.51 67.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.859 2.373 . . . . 0.0 113.184 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.62 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p -67.95 -25.3 65.38 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.58 126.4 11.46 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.615 2.21 . . . . 0.0 112.498 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.2 Cg_endo -58.4 142.29 97.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.942 2.428 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.5 Cg_exo -53.27 116.57 3.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.873 2.382 . . . . 0.0 112.478 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -94.75 135.07 36.66 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.617 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.84 -51.36 49.36 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.533 0.206 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.08 -40.47 94.68 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.987 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.09 99.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.984 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -37.68 88.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.407 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.79 -43.18 72.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.656 179.331 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.32 -37.66 87.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.04 76.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.5 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.26 -15.15 61.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.495 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 65.03 -129.26 34.97 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.474 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.44 -23.93 71.11 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.767 2.311 . . . . 0.0 112.921 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.12 75.7 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 p -71.87 -23.41 61.5 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.538 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 47.5 Cg_endo -69.57 124.18 10.9 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.51 2.14 . . . . 0.0 112.533 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 13.8 Cg_endo -56.71 137.8 82.59 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.878 2.385 . . . . 0.0 112.374 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.12 117.05 4.04 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -148.95 -59.52 0.22 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 O-C-N 122.394 -0.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.233 0.191 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 1' ' ' ACE . . . 72.75 -68.84 0.21 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.646 0.378 . . . . 0.0 111.318 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -69.11 -40.67 78.2 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.56 94.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.808 179.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.4 -36.45 81.33 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -56.71 -41.83 78.1 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.34 -37.42 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.79 74.15 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -72.75 -14.8 61.62 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.599 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.11 -131.15 25.0 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.553 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.63 -24.94 69.39 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.799 2.332 . . . . 0.0 113.099 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.16 82.73 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p -66.53 -25.93 66.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.54 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 54.4 Cg_endo -70.79 125.3 11.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.525 2.15 . . . . 0.0 112.691 -179.694 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.3 136.33 71.51 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.817 2.345 . . . . 0.0 112.207 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 107.96 2.07 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.546 2.164 . . . . 0.0 112.318 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -144.17 103.91 4.05 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.654 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.56 -69.03 0.44 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.087 0.242 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -63.83 -40.9 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.928 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.86 96.17 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.691 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -36.17 83.18 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 179.02 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.7 -44.18 90.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.591 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.45 -34.67 78.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -36.54 77.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.704 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.92 -14.94 61.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.642 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.88 -130.54 25.13 Favored Glycine 0 C--N 1.339 0.714 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.27 -24.27 72.12 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.815 2.343 . . . . 0.0 112.95 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.73 76.28 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p -68.14 -26.23 65.68 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.459 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 48.6 Cg_endo -69.58 124.51 11.23 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.559 2.173 . . . . 0.0 112.742 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.1 140.75 95.25 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.999 2.466 . . . . 0.0 112.561 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.37 79.16 3.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.915 2.41 . . . . 0.0 112.228 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -112.98 -56.15 2.45 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.078 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.799 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.33 -58.79 2.69 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.622 0.249 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -67.47 -40.08 85.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.12 97.87 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.959 179.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -53.26 -43.78 67.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.14 -39.39 92.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.826 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.51 75.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.433 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -72.65 -15.22 61.72 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.447 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.95 -130.09 21.88 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.528 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.43 -24.86 70.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.748 2.298 . . . . 0.0 113.016 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.2 76.03 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p -67.75 -26.68 66.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 56.7 Cg_endo -71.07 126.19 12.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.537 2.158 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.4 Cg_endo -56.44 136.49 75.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.953 2.435 . . . . 0.0 112.415 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.82 141.04 21.21 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.756 2.304 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -140.92 145.68 36.4 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.717 -0.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.68 59.27 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.035 0.209 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.951 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.86 89.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.81 179.523 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -37.84 88.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.076 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -56.55 -43.41 79.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.711 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.12 -37.09 86.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.73 75.95 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.591 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.82 -14.92 61.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.61 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -129.36 28.59 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.462 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.85 -24.18 68.23 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.815 2.343 . . . . 0.0 112.991 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.98 -40.49 78.79 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.9 p -68.73 -24.78 64.5 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.449 ' HD3' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD2' ' HD3' ' A' ' 16' ' ' NVA . 54.2 Cg_endo -70.32 124.35 10.77 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.588 2.192 . . . . 0.0 112.627 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.8 Cg_endo -57.28 142.44 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.949 2.433 . . . . 0.0 112.48 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.7 Cg_exo -53.32 121.47 9.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.971 2.448 . . . . 0.0 112.498 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.9 p -149.17 147.68 28.73 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.97 75.29 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.045 0.216 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.41 -40.41 89.55 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.005 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.25 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.949 179.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -38.25 88.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.438 179.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.439 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.1 t90 -55.58 -42.68 75.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.23 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.15 -37.47 87.52 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 179.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.09 77.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.609 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -73.08 -14.39 61.38 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.659 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 67.7 -127.3 25.46 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.418 -179.704 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.87 -24.49 74.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.784 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.25 76.6 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.742 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -69.79 -26.38 64.24 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.469 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 58.2 Cg_endo -72.26 136.14 26.09 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.541 2.16 . . . . 0.0 112.399 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.43 135.56 70.64 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.888 2.392 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 138.93 20.91 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.819 2.346 . . . . 0.0 112.309 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 m -137.68 131.5 31.53 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.673 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.71 -62.61 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.182 0.301 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.15 -40.7 94.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.298 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.69 -40.38 83.44 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.058 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -66.77 -37.67 85.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.4 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 49.6 t90 -54.97 -43.28 73.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.804 179.385 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -38.2 89.8 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.025 179.344 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.84 74.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.541 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.21 -14.88 61.43 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.525 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' HA2' ' CE2' ' A' ' 6' ' ' TRP . . . 68.04 -130.1 27.09 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.495 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.37 -24.61 71.32 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.799 2.333 . . . . 0.0 112.981 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.32 76.96 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.563 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p -69.99 -25.39 63.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' NVA . . . . . 0.561 ' HG2' ' HD2' ' A' ' 17' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HD2' ' HG2' ' A' ' 16' ' ' NVA . 40.5 Cg_endo -67.85 122.8 9.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.426 2.084 . . . . 0.0 112.331 -179.821 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 17' ' ' PRO . 12.1 Cg_endo -55.38 143.29 77.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.945 2.43 . . . . 0.0 112.663 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -52.63 116.2 2.72 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.063 2.509 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -127.21 -57.13 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.796 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_