data_5woc_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5woc _Structure_validation_residue.Date_analyzed 2017-09-29 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 ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.464 0.238 0 CA-C-O 120.84 0.353 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.61 -38.96 90.73 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.706 2.27 . . . . 0.0 111.9 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.19 -40.72 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -65.74 -41.19 92.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.71 -44.52 96.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.486 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.26 93.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.508 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.04 -44.04 93.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.441 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.66 -39.15 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.411 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.28 -40.17 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.078 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.82 -45.85 92.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.672 -0.411 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.3 94.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.968 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.86 87.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.29 -45.24 85.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.619 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.57 -41.88 92.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.367 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.89 92.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.91 -40.0 93.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.503 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.38 -40.84 98.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.885 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.882 0.372 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -39.65 84.95 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.002 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.57 -40.85 98.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.36 -41.37 93.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.96 -44.23 97.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.547 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.69 93.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.364 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -63.93 -43.34 96.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.415 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.86 -38.52 89.06 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.46 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.04 -40.24 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.097 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.84 -46.14 90.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.26 94.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.947 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.46 88.69 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.047 0.451 . . . . 0.0 110.52 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.43 -45.31 84.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.41 -41.83 93.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.446 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.222 0.534 . . . . 0.0 110.56 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -62.8 -41.4 99.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.0 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.67 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -41.97 73.35 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.553 2.168 . . . . 0.0 112.243 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.06 -38.97 86.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.73 -40.57 95.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.9 -44.91 93.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.801 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.972 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.25 -42.14 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.212 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.69 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -58.8 -41.31 86.44 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.922 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -62.2 -47.13 85.83 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.108 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.81 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.771 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.97 -42.35 81.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 13.0 tm-20 -64.4 -45.88 85.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.1 -40.81 95.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.334 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.435 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.57 -43.09 99.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.776 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -63.12 -40.21 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.22 -41.14 99.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.19 -42.74 65.79 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.563 2.175 . . . . 0.0 112.066 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.14 -39.52 89.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.75 -40.44 92.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.01 -45.1 93.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.794 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.8 92.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.852 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.77 -41.32 95.96 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.138 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.01 -38.34 88.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.65 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -58.1 -41.77 84.24 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.047 -179.581 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.78 -47.71 83.92 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.38 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.74 82.97 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.704 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.38 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' B' ' 9' ' ' CYS . 13.4 tm-20 -64.11 -45.75 87.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.13 -40.72 94.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.318 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.0 86.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.271 0.558 . . . . 0.0 110.302 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.815 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.5 mt-10 -63.82 -40.11 95.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.93 -38.11 86.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.614 2.21 . . . . 0.0 111.955 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.22 -43.53 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.31 0.576 . . . . 0.0 109.824 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.8 -44.14 94.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.462 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.6 85.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.508 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -68.44 -42.86 78.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.246 -0.581 . . . . 0.0 111.036 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.55 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -59.83 -40.5 88.71 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -61.3 -42.52 98.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.702 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.86 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.94 93.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.56 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.38 -44.15 88.5 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 110.455 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.17 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.75 85.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.224 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.86 -40.62 96.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.151 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.0 -40.62 98.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.79 -40.5 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.09 -38.5 80.69 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.794 2.329 . . . . 0.0 112.031 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.45 -43.69 98.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.73 -40.86 92.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.64 -43.53 93.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.569 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.54 86.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.386 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.62 -40.58 76.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.829 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.53 -38.03 80.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.054 0.454 . . . . 0.0 110.502 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 29.2 t -59.55 -40.83 88.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.776 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.4 m -61.59 -40.84 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.886 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.1 94.2 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.95 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.81 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.98 0.419 . . . . 0.0 110.457 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -65.39 -43.89 89.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.418 0.628 . . . . 0.0 110.416 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -39.11 92.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.219 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.09 84.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.46 -40.65 97.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.977 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.29 -40.85 98.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.381 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.87 -40.68 97.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.32 -34.28 97.78 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.394 2.062 . . . . 0.0 111.997 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.33 -42.93 87.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.189 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 -40.04 85.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -42.35 99.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.16 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.96 86.91 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.902 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -65.03 -44.65 88.42 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.557 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.22 -38.79 88.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.07 -41.26 87.56 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.526 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.111 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.63 94.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.55 88.68 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.988 0.423 . . . . 0.0 110.33 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.12 -45.39 85.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.672 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.603 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.51 92.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.13 -42.05 97.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.572 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.8 -39.87 95.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.67 -40.82 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -35.13 99.08 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.542 2.162 . . . . 0.0 112.088 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.39 -42.88 92.16 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.162 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.68 -39.82 84.44 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -41.66 99.47 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.51 82.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.831 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -64.58 -42.83 95.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.395 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -60.14 -41.09 91.96 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.821 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.8 m -61.6 -41.76 97.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.122 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.8 95.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.164 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.79 90.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.046 0.451 . . . . 0.0 110.263 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.71 -45.19 83.7 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.42 -42.86 95.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.416 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.21 92.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.265 0.555 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.52 -40.2 96.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.39 -41.03 98.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.28 -34.0 98.19 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 121.799 1.666 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.97 -41.21 87.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.242 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.14 -42.17 89.46 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -43.72 98.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.734 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.64 90.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.638 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.01 -42.31 89.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.247 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.91 -39.2 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.833 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -42.37 82.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -61.93 -44.84 95.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.849 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.44 94.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.03 84.78 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.063 0.459 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -65.59 -44.48 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -65.26 -41.0 94.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.39 91.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.291 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.132 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.18 -40.52 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.63 -40.96 98.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -34.57 98.93 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.858 1.705 . . . . 0.0 112.126 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.7 -40.88 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.2 -42.26 89.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -43.13 99.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.72 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.81 89.74 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.523 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.62 -41.25 88.66 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.331 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.68 -37.32 82.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.845 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.81 -41.91 87.93 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -62.14 -44.57 96.33 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.91 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.36 94.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.787 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.8 85.38 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.06 0.457 . . . . 0.0 110.567 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.83 -44.38 85.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.736 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -65.24 -41.02 94.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.15 90.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.295 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.95 -41.52 99.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.014 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.24 -40.51 96.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.65 -40.89 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.11 -39.01 87.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.652 2.235 . . . . 0.0 111.871 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.68 -41.26 96.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.253 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.51 -41.0 96.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.89 -45.48 93.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 178.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.33 96.28 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.674 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -63.66 -39.14 93.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.066 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.1 -23.55 41.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.443 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ARG . 30.3 t -61.17 -46.3 91.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -61.62 -37.85 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.185 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.8 96.56 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.65 74.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.193 0.52 . . . . 0.0 110.992 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.07 -42.33 89.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.6 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.17 -40.26 95.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.301 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.81 91.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -62.27 -40.16 95.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.08 -38.73 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.25 -41.17 98.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.822 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.899 0.38 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.22 -38.99 82.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.672 2.248 . . . . 0.0 111.811 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.0 -41.19 97.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.215 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.67 -40.93 96.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.41 93.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.09 95.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -64.46 -37.18 86.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.14 -21.84 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.24 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.67 -47.91 83.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.689 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' B' ' 11' ' ' ALA . 5.0 t -59.4 -38.39 80.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' B' ' 10' ' ' THR . . . -60.98 -44.93 96.66 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.296 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.47 -45.85 74.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.287 0.565 . . . . 0.0 110.958 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.07 -41.93 90.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.43 -40.22 95.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.35 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.41 90.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.66 -40.32 96.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.235 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.25 -38.83 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.29 -40.89 97.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.72 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -59.93 -34.31 95.28 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.991 1.794 . . . . 0.0 112.169 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.66 -40.4 84.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.228 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.29 -41.58 89.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.67 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.459 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.49 91.92 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.942 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -65.08 -43.5 91.95 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.16 -38.6 91.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -59.96 -39.3 85.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.52 -45.95 92.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.34 94.48 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.146 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.81 87.65 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.148 0.499 . . . . 0.0 110.674 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.71 -45.13 87.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.03 -44.09 93.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.691 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.97 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.761 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.75 -41.66 97.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.608 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -63.14 -40.02 96.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.4 -41.12 98.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.98 -35.67 92.46 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.046 1.831 . . . . 0.0 112.09 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.41 -40.56 89.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.234 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.7 -41.89 87.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.81 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -42.81 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.441 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.78 92.68 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.696 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.11 -42.46 93.93 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.438 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.68 -36.9 83.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.856 0.36 . . . . 0.0 110.369 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -60.18 -39.74 87.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.86 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.092 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.255 0.55 . . . . 0.0 110.559 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.36 -44.84 86.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.92 -43.93 94.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.68 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.08 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.87 -41.77 98.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.93 -39.99 96.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.4 -40.81 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.525 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.75 -37.15 91.96 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.861 2.374 . . . . 0.0 111.803 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.88 -40.44 91.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.49 -39.05 92.2 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.313 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -58.38 -46.0 87.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.65 93.19 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.531 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.1 -40.12 90.5 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 37.8 m -62.35 -39.13 92.11 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.733 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -60.27 -44.73 95.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.81 95.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.764 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.68 89.73 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.608 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.21 -45.02 86.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -64.6 -39.45 93.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.217 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.279 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.15 -41.08 97.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.85 -40.68 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.63 -37.7 83.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.907 2.405 . . . . 0.0 112.009 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.49 -40.7 93.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.01 -39.4 92.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.434 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.614 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -57.97 -46.42 85.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 179.169 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.234 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.58 -39.25 73.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.051 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.04 -38.69 79.28 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.314 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.614 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 57.8 m -62.17 -39.75 93.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.713 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.55 -44.54 93.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.91 96.39 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.793 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.32 89.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.074 0.464 . . . . 0.0 110.536 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.71 -44.86 84.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -64.58 -39.39 93.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.049 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.25 89.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.261 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.01 -41.09 97.7 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.0 -40.92 97.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.64 -40.67 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.16 -34.94 98.62 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.345 2.03 . . . . 0.0 111.957 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.37 -42.02 88.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.19 -39.95 86.43 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -43.26 97.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.229 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.51 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.528 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.78 -42.13 91.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.31 -39.32 92.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.72 -41.16 81.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -62.03 -44.39 96.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.963 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.1 95.99 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.103 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.08 85.32 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.032 0.444 . . . . 0.0 110.294 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.92 -44.37 89.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.545 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.6 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.64 90.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.81 -43.55 98.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.358 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.21 -40.84 96.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.57 -41.04 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' HG ' ' B' ' 1' ' ' SER . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.448 ' HG ' ' C ' ' A' ' 19' ' ' GLY . 33.9 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.61 -35.65 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.484 2.123 . . . . 0.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.93 -41.7 91.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.89 -39.76 83.62 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -42.71 97.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.91 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.11 -41.1 91.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.57 -38.83 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.37 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.3 t -58.19 -40.59 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -62.51 -44.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.32 95.01 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.016 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.59 87.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.305 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -65.28 -44.39 88.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.551 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -42.34 97.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.613 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.37 89.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.408 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.23 -40.95 97.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.37 -40.8 97.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.743 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.55 -37.81 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.715 2.276 . . . . 0.0 111.914 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.308 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.03 -38.93 92.51 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.164 0.507 . . . . 0.0 110.014 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.51 88.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.357 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.39 90.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.545 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 98.9 mm-40 -68.88 -41.88 77.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.145 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.62 -38.23 88.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.711 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -57.72 -43.68 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.144 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 7' ' ' GLN . 3.9 p -63.2 -35.86 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.636 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.23 98.73 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.39 -49.08 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.116 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.14 -44.11 89.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.88 -41.25 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.23 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.86 -40.48 97.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.53 -40.07 96.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.881 0.372 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.32 -37.58 81.25 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.717 2.278 . . . . 0.0 111.984 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.23 -42.24 99.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.29 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.44 -39.42 93.8 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -46.92 87.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.228 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.7 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 110.325 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.51 -39.79 73.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.021 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.05 -36.56 80.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -58.1 -44.83 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -61.43 -36.43 80.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.64 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.461 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.84 -48.47 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -62.98 -41.06 99.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.248 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.89 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.27 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.689 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.93 -32.27 94.88 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.114 1.876 . . . . 0.0 112.294 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.43 -42.2 88.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.841 0.353 . . . . 0.0 110.198 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.7 -39.48 84.4 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -46.41 86.38 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.58 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.89 92.22 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.767 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -69.85 -41.23 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.993 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.16 -39.79 93.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.66 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -61.18 -40.09 92.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.584 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -61.55 -42.83 99.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.846 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.57 91.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.214 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.31 89.56 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.594 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -65.01 -45.25 86.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.381 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -65.8 -38.05 87.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -36.35 75.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.64 -40.39 91.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.78 -41.26 95.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.444 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.87 -40.48 97.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.36 -31.72 95.41 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.189 1.926 . . . . 0.0 111.984 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.65 -42.35 86.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.183 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.68 -40.06 84.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.94 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -46.41 84.65 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.406 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.1 90.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.521 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -70.73 -39.94 73.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.21 -39.17 89.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 110.559 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -61.61 -39.84 92.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.054 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -61.82 -41.98 98.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.59 93.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.19 90.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.449 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -65.03 -45.37 85.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.78 -38.31 88.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.855 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.93 74.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.37 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.8 -40.88 94.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.386 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.64 -41.3 96.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.89 -40.84 98.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.71 -39.22 90.27 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.792 2.328 . . . . 0.0 111.879 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.52 -41.18 96.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.06 -39.91 86.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.374 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.619 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -59.82 -45.85 91.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.762 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.89 96.25 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.64 -42.4 86.76 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.286 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.6 -38.98 88.12 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.554 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.619 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 m -59.48 -39.61 84.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.13 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 m -61.42 -46.05 91.74 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.799 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.49 93.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.243 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.09 75.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.57 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.03 -45.43 85.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -64.96 -44.34 89.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.5 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.608 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -60.51 -42.76 97.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.316 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.28 -41.36 99.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.156 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.75 -40.77 98.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.71 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.37 -39.58 86.68 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.807 2.338 . . . . 0.0 111.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.82 -41.27 97.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.14 -39.83 86.62 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -59.83 -46.62 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.718 178.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.84 96.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.43 -39.62 85.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.308 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.83 -37.94 73.2 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.137 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 1.2 m -58.75 -39.82 82.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.051 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.9 m -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.06 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.9 91.03 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.77 77.52 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.15 0.5 . . . . 0.0 110.428 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.2 -45.24 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.34 -44.12 88.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.465 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.69 88.27 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.497 0.665 . . . . 0.0 110.76 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.22 -42.95 99.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.148 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.55 -41.33 98.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.54 -40.94 98.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.532 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.468 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.232 0.135 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.02 -40.57 80.73 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.716 2.277 . . . . 0.0 111.935 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -66.86 -40.47 87.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.75 -39.79 92.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -44.85 92.81 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.675 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.91 91.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.751 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.75 -43.04 94.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.439 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.16 -38.88 89.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.8 -40.86 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.99 -45.07 95.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.77 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.88 96.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.838 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.26 88.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.096 0.474 . . . . 0.0 110.496 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.05 -44.89 83.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.2 -39.77 93.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.307 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.28 88.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.263 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.12 -41.11 99.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.18 -39.36 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.6 -41.04 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.73 -41.88 66.61 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.697 2.265 . . . . 0.0 112.125 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -66.21 -41.28 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.91 -39.91 91.14 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -45.48 91.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.649 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.94 89.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.47 -41.79 96.28 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.415 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.43 -38.61 81.36 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.672 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.664 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.62 -44.92 96.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.974 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.61 96.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.756 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.07 90.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.524 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.17 -44.91 82.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.12 -39.73 93.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.435 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.92 88.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.61 -41.38 98.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.059 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.7 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.6 -40.86 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.552 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.44 -34.48 93.01 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.478 1.452 . . . . 0.0 112.235 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.513 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -60.34 -42.56 95.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.751 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.96 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.145 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.56 -42.84 86.46 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.314 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.89 -38.75 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.34 -40.33 86.02 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -61.36 -44.34 97.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.03 94.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.785 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.6 88.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.057 0.455 . . . . 0.0 110.773 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.99 -44.39 89.44 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.562 0.696 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -62.89 -39.74 95.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.454 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.21 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -41.19 96.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.205 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -41.17 98.2 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.373 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.96 -40.96 99.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.715 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.05 -34.93 89.37 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.596 1.53 . . . . 0.0 112.263 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.13 -40.43 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.361 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.77 -41.44 95.49 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.88 -42.11 93.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.862 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.003 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -67.03 -41.32 86.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.53 -37.14 79.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -40.53 88.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.736 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.06 -43.76 98.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.097 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.25 94.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.651 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.5 89.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.688 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.38 -44.16 88.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.484 0.659 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -63.12 -39.78 95.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.382 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.13 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.55 -41.16 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.212 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.7 -41.09 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.728 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.65 -32.43 95.87 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 121.775 1.65 . . . . 0.0 112.14 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.88 -40.79 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.89 -42.01 90.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.11 95.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.907 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.69 93.32 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.219 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.14 -43.48 91.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.369 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.33 -39.33 89.18 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.343 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.24 -38.43 79.99 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -61.17 -45.98 92.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.144 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.47 94.04 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.268 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.16 80.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.584 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.76 -45.18 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.65 -44.77 92.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.482 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.51 90.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.76 -40.66 97.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.5 -40.49 96.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.758 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.699 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.653 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 -32.9 96.9 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -41.14 89.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.47 -42.07 92.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.32 94.89 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.4 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.081 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.27 -41.02 94.62 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.449 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.16 -37.76 75.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.075 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -38.12 80.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.028 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.94 -45.83 93.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.48 93.82 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.213 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.52 80.43 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.009 0.433 . . . . 0.0 110.468 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.28 -44.91 90.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.481 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.81 -44.61 92.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.375 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.51 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.62 -43.32 97.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -40.41 96.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.5 -40.69 97.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.826 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.683 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.708 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.8 -39.52 83.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.7 2.266 . . . . 0.0 112.223 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.7 -43.83 97.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.18 -37.91 84.51 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -59.91 -47.04 87.37 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.782 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.19 93.7 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.428 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.08 -43.74 67.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.11 -41.82 94.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.46 -37.56 87.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.937 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -60.64 -44.05 96.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.83 96.31 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.03 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.344 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -65.28 -45.2 85.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.383 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.7 -41.99 98.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.38 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.46 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.87 -43.34 98.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.296 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.64 -41.04 93.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.13 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.46 0.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.1 -39.93 78.46 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.677 2.251 . . . . 0.0 112.14 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.84 -45.06 95.46 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.359 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.4 -38.22 87.0 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.13 -47.71 84.27 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.63 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.7 91.41 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.468 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.87 -42.1 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.65 -41.6 87.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.443 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -62.89 -38.07 89.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.17 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.41 -44.18 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.164 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.08 95.19 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.13 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.17 83.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.004 0.431 . . . . 0.0 110.275 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -65.57 -45.19 84.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.239 0.542 . . . . 0.0 110.346 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.74 -42.23 97.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.423 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.53 84.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.5 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.76 -41.27 92.29 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.116 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.86 -41.42 99.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.739 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -53.89 -39.98 82.39 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.748 2.299 . . . . 0.0 111.938 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -40.22 94.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.84 -41.34 95.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -45.02 95.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.646 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.21 94.24 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.716 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.28 -43.57 90.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.222 0.534 . . . . 0.0 110.591 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.15 -40.02 95.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -36.52 79.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -59.23 -45.3 91.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.82 98.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.495 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.97 94.27 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.422 . . . . 0.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -63.96 -44.3 93.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -63.52 -40.83 98.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.79 88.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.173 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.38 -39.43 93.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.449 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.88 -40.97 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.742 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.88 -40.88 74.08 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.763 2.309 . . . . 0.0 111.93 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.53 -40.71 96.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.631 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.95 -41.49 97.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -45.27 95.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.663 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.16 93.72 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -65.36 -42.59 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.625 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.82 -39.5 90.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -37.65 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.177 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.0 m -57.71 -45.2 86.07 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.85 98.06 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.525 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.82 94.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.98 0.419 . . . . 0.0 110.773 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.04 -44.44 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.106 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -63.57 -40.82 97.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.265 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.16 86.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.05 -41.37 99.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.55 -39.5 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.63 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.625 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 179.219 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.24 -33.0 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.517 1.478 . . . . 0.0 111.934 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.85 -40.92 83.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -67.23 -40.97 86.42 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.19 -43.94 95.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.103 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.41 93.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.053 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.1 -41.74 90.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.193 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.79 -39.37 93.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.12 -42.45 85.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 109.705 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -61.42 -44.82 96.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.114 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.84 95.8 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.813 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.06 88.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.234 0.54 . . . . 0.0 110.508 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' OE2' ' OE1' ' A' ' 17' ' ' GLU . 15.7 tm-20 -65.56 -44.66 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.02 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.36 -39.86 94.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.222 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.23 86.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.73 -42.57 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -62.11 -40.28 95.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.4 -40.85 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.733 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.67 -33.41 98.25 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.614 1.543 . . . . 0.0 112.097 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.96 -40.61 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -67.71 -41.26 83.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.78 -44.49 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.934 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.92 91.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.164 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.95 -40.67 87.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.44 -38.47 87.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -43.25 85.49 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.38 -44.55 96.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.436 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.66 96.42 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.537 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.56 89.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.072 0.463 . . . . 0.0 110.52 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' OE2' ' OE1' ' B' ' 17' ' ' GLU . 15.9 tm-20 -65.45 -44.73 86.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.45 -39.84 94.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.222 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.96 85.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.735 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.45 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.6 mt-10 -62.13 -40.4 95.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.17 -40.98 99.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.889 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.73 -28.47 86.55 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.043 1.829 . . . . 0.0 112.051 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.91 -40.26 91.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.35 -38.93 91.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.497 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -48.27 81.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.089 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.19 -39.75 95.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.74 -18.81 39.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.51 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.7 t -62.97 -46.13 89.17 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.43 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -64.12 -38.85 92.56 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.266 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.41 82.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.073 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.94 -42.49 85.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.168 0.508 . . . . 0.0 110.741 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -41.11 98.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.278 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.32 91.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.277 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.38 -41.27 98.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.304 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.11 -39.75 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.94 -40.77 98.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.789 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.55 -28.69 87.09 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.05 1.833 . . . . 0.0 112.099 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.2 -40.55 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 110.06 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.67 -39.12 93.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.745 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -49.43 77.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.683 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.63 97.1 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.754 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.71 -38.44 91.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.97 -16.75 39.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -64.11 -46.18 85.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.451 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -64.57 -38.35 90.69 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.239 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.28 94.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.29 81.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.908 0.385 . . . . 0.0 111.067 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.41 -42.0 83.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.634 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -41.03 98.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.385 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.29 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.957 0.408 . . . . 0.0 110.223 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.21 -41.19 98.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.268 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -39.75 93.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.14 -40.69 98.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -38.05 82.94 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.617 2.212 . . . . 0.0 111.83 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.85 -42.72 99.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.222 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.23 -39.11 89.32 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.194 0.521 . . . . 0.0 109.988 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.93 -46.48 84.95 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.335 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.94 87.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 0.0 110.563 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.52 -41.69 84.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.882 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.2 mt -65.81 -39.17 90.64 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.514 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 -37.93 81.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.931 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.52 -43.45 93.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.275 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.36 77.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.7 -44.15 91.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.476 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.21 -43.09 99.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.9 88.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.479 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.75 -43.91 97.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -63.98 -39.8 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.86 -41.32 99.33 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.32 -37.74 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.627 2.218 . . . . 0.0 111.923 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.61 -43.6 98.41 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.218 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.38 -39.65 92.54 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.078 0.466 . . . . 0.0 110.125 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.3 -47.08 82.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.108 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.85 89.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.444 . . . . 0.0 110.237 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -69.07 -39.82 78.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.725 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.1 -39.14 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -36.95 78.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.214 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.2 m -59.5 -42.49 92.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.58 93.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.37 82.21 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.84 -44.38 89.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.645 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.48 -43.02 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.517 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.72 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.452 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.93 -43.48 98.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.92 -40.45 96.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.62 -41.16 98.84 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.464 0.238 0 CA-C-O 120.84 0.353 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.61 -38.96 90.73 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.706 2.27 . . . . 0.0 111.9 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.19 -40.72 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -65.74 -41.19 92.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.71 -44.52 96.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.486 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.26 93.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.508 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.04 -44.04 93.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.441 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.66 -39.15 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.411 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.28 -40.17 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.078 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.82 -45.85 92.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.672 -0.411 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.3 94.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.968 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.86 87.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.29 -45.24 85.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.619 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.57 -41.88 92.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.367 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.89 92.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.91 -40.0 93.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.503 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.38 -40.84 98.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.885 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.882 0.372 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -39.65 84.95 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.002 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.57 -40.85 98.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.36 -41.37 93.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.96 -44.23 97.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.547 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.69 93.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.364 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -63.93 -43.34 96.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.415 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.86 -38.52 89.06 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.46 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.04 -40.24 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.097 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.84 -46.14 90.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.26 94.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.947 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.46 88.69 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.047 0.451 . . . . 0.0 110.52 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.43 -45.31 84.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.41 -41.83 93.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.446 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.222 0.534 . . . . 0.0 110.56 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -62.8 -41.4 99.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.0 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.67 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -41.97 73.35 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.553 2.168 . . . . 0.0 112.243 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.06 -38.97 86.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.73 -40.57 95.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.9 -44.91 93.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.801 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.972 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.25 -42.14 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.212 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.69 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -58.8 -41.31 86.44 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.922 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -62.2 -47.13 85.83 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.108 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.81 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.771 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.97 -42.35 81.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 13.0 tm-20 -64.4 -45.88 85.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.1 -40.81 95.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.334 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.435 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.57 -43.09 99.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.776 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -63.12 -40.21 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.22 -41.14 99.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.19 -42.74 65.79 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.563 2.175 . . . . 0.0 112.066 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.14 -39.52 89.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.75 -40.44 92.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.01 -45.1 93.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.794 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.8 92.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.852 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.77 -41.32 95.96 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.138 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.01 -38.34 88.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.65 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -58.1 -41.77 84.24 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.047 -179.581 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.78 -47.71 83.92 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.38 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.74 82.97 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.704 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.38 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' B' ' 9' ' ' CYS . 13.4 tm-20 -64.11 -45.75 87.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.13 -40.72 94.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.318 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.0 86.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.271 0.558 . . . . 0.0 110.302 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.815 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.5 mt-10 -63.82 -40.11 95.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 179.705 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.93 -38.11 86.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.614 2.21 . . . . 0.0 111.955 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.22 -43.53 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.31 0.576 . . . . 0.0 109.824 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.8 -44.14 94.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.462 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.6 85.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.508 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -68.44 -42.86 78.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.246 -0.581 . . . . 0.0 111.036 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.55 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -59.83 -40.5 88.71 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -61.3 -42.52 98.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.702 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.86 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.94 93.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.56 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.38 -44.15 88.5 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 110.455 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.17 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.75 85.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.224 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.86 -40.62 96.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.151 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.0 -40.62 98.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.79 -40.5 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.09 -38.5 80.69 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.794 2.329 . . . . 0.0 112.031 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.45 -43.69 98.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.73 -40.86 92.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.968 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.64 -43.53 93.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.569 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.54 86.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.386 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.62 -40.58 76.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.829 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.53 -38.03 80.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.054 0.454 . . . . 0.0 110.502 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 29.2 t -59.55 -40.83 88.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.776 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.4 m -61.59 -40.84 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.886 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.1 94.2 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.95 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.81 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.98 0.419 . . . . 0.0 110.457 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -65.39 -43.89 89.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.418 0.628 . . . . 0.0 110.416 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -39.11 92.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.219 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.09 84.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.46 -40.65 97.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.977 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.29 -40.85 98.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.381 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.87 -40.68 97.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.32 -34.28 97.78 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.394 2.062 . . . . 0.0 111.997 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.33 -42.93 87.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.189 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 -40.04 85.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -42.35 99.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.16 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.96 86.91 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.902 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -65.03 -44.65 88.42 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.557 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.22 -38.79 88.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.07 -41.26 87.56 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.526 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.111 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.63 94.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.55 88.68 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.988 0.423 . . . . 0.0 110.33 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.12 -45.39 85.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.672 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.603 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.51 92.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.13 -42.05 97.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.572 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.8 -39.87 95.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.67 -40.82 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -35.13 99.08 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.542 2.162 . . . . 0.0 112.088 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.39 -42.88 92.16 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.162 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.68 -39.82 84.44 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -41.66 99.47 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.51 82.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.831 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -64.58 -42.83 95.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.395 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -60.14 -41.09 91.96 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.821 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.8 m -61.6 -41.76 97.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.122 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.8 95.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.164 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.79 90.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.046 0.451 . . . . 0.0 110.263 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.71 -45.19 83.7 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.42 -42.86 95.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.416 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.21 92.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.265 0.555 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.52 -40.2 96.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.39 -41.03 98.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.28 -34.0 98.19 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 121.799 1.666 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.97 -41.21 87.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.242 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.14 -42.17 89.46 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -43.72 98.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.734 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.64 90.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.638 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.01 -42.31 89.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.247 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.91 -39.2 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.833 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -42.37 82.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -61.93 -44.84 95.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.849 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.44 94.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.03 84.78 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.063 0.459 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -65.59 -44.48 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -65.26 -41.0 94.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.39 91.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.291 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.132 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.18 -40.52 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.63 -40.96 98.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -34.57 98.93 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.858 1.705 . . . . 0.0 112.126 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.7 -40.88 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.2 -42.26 89.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -43.13 99.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.72 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.81 89.74 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.523 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.62 -41.25 88.66 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.331 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.68 -37.32 82.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.845 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.81 -41.91 87.93 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -62.14 -44.57 96.33 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.91 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.36 94.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.787 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.8 85.38 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.06 0.457 . . . . 0.0 110.567 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.83 -44.38 85.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.736 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -65.24 -41.02 94.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.15 90.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.295 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.95 -41.52 99.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.014 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.24 -40.51 96.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.65 -40.89 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.11 -39.01 87.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.652 2.235 . . . . 0.0 111.871 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.68 -41.26 96.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.253 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.51 -41.0 96.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.89 -45.48 93.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 178.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.33 96.28 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.674 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -63.66 -39.14 93.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.066 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.1 -23.55 41.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.443 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ARG . 30.3 t -61.17 -46.3 91.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -61.62 -37.85 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.185 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.8 96.56 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.65 74.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.193 0.52 . . . . 0.0 110.992 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.07 -42.33 89.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.6 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.17 -40.26 95.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.301 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.81 91.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -62.27 -40.16 95.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.08 -38.73 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.25 -41.17 98.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.822 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.899 0.38 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.22 -38.99 82.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.672 2.248 . . . . 0.0 111.811 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.0 -41.19 97.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.215 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.67 -40.93 96.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.41 93.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.09 95.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -64.46 -37.18 86.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.14 -21.84 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.24 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.67 -47.91 83.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.689 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' B' ' 11' ' ' ALA . 5.0 t -59.4 -38.39 80.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' B' ' 10' ' ' THR . . . -60.98 -44.93 96.66 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.296 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.47 -45.85 74.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.287 0.565 . . . . 0.0 110.958 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.07 -41.93 90.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.43 -40.22 95.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.35 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.41 90.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.66 -40.32 96.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.235 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.25 -38.83 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.29 -40.89 97.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.72 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -59.93 -34.31 95.28 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.991 1.794 . . . . 0.0 112.169 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.66 -40.4 84.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.228 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.29 -41.58 89.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.67 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.459 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.49 91.92 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.942 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -65.08 -43.5 91.95 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.16 -38.6 91.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -59.96 -39.3 85.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.52 -45.95 92.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.34 94.48 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.146 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.81 87.65 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.148 0.499 . . . . 0.0 110.674 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.71 -45.13 87.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.03 -44.09 93.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.691 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.97 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.761 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.75 -41.66 97.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.608 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -63.14 -40.02 96.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.4 -41.12 98.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.98 -35.67 92.46 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.046 1.831 . . . . 0.0 112.09 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.41 -40.56 89.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.234 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.7 -41.89 87.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.81 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -42.81 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.441 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.78 92.68 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.696 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.11 -42.46 93.93 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.438 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.68 -36.9 83.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.856 0.36 . . . . 0.0 110.369 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -60.18 -39.74 87.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.86 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.092 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.255 0.55 . . . . 0.0 110.559 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.36 -44.84 86.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.92 -43.93 94.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.68 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.08 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.87 -41.77 98.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.93 -39.99 96.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.4 -40.81 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.525 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.75 -37.15 91.96 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.861 2.374 . . . . 0.0 111.803 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.88 -40.44 91.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.49 -39.05 92.2 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.313 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -58.38 -46.0 87.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.65 93.19 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.531 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.1 -40.12 90.5 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 37.8 m -62.35 -39.13 92.11 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.733 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -60.27 -44.73 95.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.81 95.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.764 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.68 89.73 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.608 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.21 -45.02 86.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -64.6 -39.45 93.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.217 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.279 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.15 -41.08 97.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.85 -40.68 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.63 -37.7 83.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.907 2.405 . . . . 0.0 112.009 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.49 -40.7 93.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.01 -39.4 92.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.434 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.614 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -57.97 -46.42 85.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 179.169 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.234 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.58 -39.25 73.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.051 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.04 -38.69 79.28 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.314 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.614 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 57.8 m -62.17 -39.75 93.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.713 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.55 -44.54 93.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.91 96.39 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.793 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.32 89.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.074 0.464 . . . . 0.0 110.536 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.71 -44.86 84.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -64.58 -39.39 93.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.049 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.25 89.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.261 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.01 -41.09 97.7 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.0 -40.92 97.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.64 -40.67 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.16 -34.94 98.62 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.345 2.03 . . . . 0.0 111.957 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.37 -42.02 88.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.19 -39.95 86.43 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -43.26 97.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.229 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.51 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.528 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.78 -42.13 91.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.31 -39.32 92.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.72 -41.16 81.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -62.03 -44.39 96.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.963 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.1 95.99 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.103 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.08 85.32 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.032 0.444 . . . . 0.0 110.294 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.92 -44.37 89.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.545 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.6 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.64 90.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.81 -43.55 98.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.358 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.21 -40.84 96.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.57 -41.04 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' ' HG ' ' B' ' 1' ' ' SER . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.448 ' HG ' ' C ' ' A' ' 19' ' ' GLY . 33.9 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.61 -35.65 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.484 2.123 . . . . 0.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.93 -41.7 91.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.89 -39.76 83.62 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -42.71 97.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.91 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.11 -41.1 91.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.57 -38.83 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.37 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.3 t -58.19 -40.59 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -62.51 -44.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.32 95.01 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.016 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.59 87.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.305 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -65.28 -44.39 88.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.551 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -42.34 97.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.613 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.37 89.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.408 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.23 -40.95 97.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.37 -40.8 97.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.743 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.803 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.55 -37.81 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.715 2.276 . . . . 0.0 111.914 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.308 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.03 -38.93 92.51 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.164 0.507 . . . . 0.0 110.014 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.51 88.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.357 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.39 90.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.545 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 98.9 mm-40 -68.88 -41.88 77.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.145 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.62 -38.23 88.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.711 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -57.72 -43.68 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.144 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 7' ' ' GLN . 3.9 p -63.2 -35.86 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.636 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.23 98.73 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.39 -49.08 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.116 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.14 -44.11 89.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.88 -41.25 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.23 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.86 -40.48 97.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.53 -40.07 96.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.881 0.372 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.32 -37.58 81.25 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.717 2.278 . . . . 0.0 111.984 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.23 -42.24 99.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.29 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.44 -39.42 93.8 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -46.92 87.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.228 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.7 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 110.325 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.51 -39.79 73.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.021 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.05 -36.56 80.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -58.1 -44.83 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -61.43 -36.43 80.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.64 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.461 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.84 -48.47 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -62.98 -41.06 99.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.248 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.89 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.27 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.689 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.93 -32.27 94.88 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.114 1.876 . . . . 0.0 112.294 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.43 -42.2 88.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.841 0.353 . . . . 0.0 110.198 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.7 -39.48 84.4 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -46.41 86.38 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.58 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.89 92.22 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.767 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -69.85 -41.23 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.993 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.16 -39.79 93.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.66 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -61.18 -40.09 92.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.584 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -61.55 -42.83 99.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.846 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.57 91.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.214 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.31 89.56 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.594 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -65.01 -45.25 86.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.381 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -65.8 -38.05 87.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -36.35 75.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.64 -40.39 91.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.78 -41.26 95.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.444 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.87 -40.48 97.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.36 -31.72 95.41 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.189 1.926 . . . . 0.0 111.984 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.65 -42.35 86.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.183 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.68 -40.06 84.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.94 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -46.41 84.65 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.406 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.1 90.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.521 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -70.73 -39.94 73.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.21 -39.17 89.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 110.559 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -61.61 -39.84 92.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.054 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -61.82 -41.98 98.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.59 93.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.19 90.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.449 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -65.03 -45.37 85.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.78 -38.31 88.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.855 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.93 74.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.37 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.8 -40.88 94.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.386 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.64 -41.3 96.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.89 -40.84 98.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.769 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.71 -39.22 90.27 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.792 2.328 . . . . 0.0 111.879 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.52 -41.18 96.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.06 -39.91 86.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.374 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.619 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -59.82 -45.85 91.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.762 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.89 96.25 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.64 -42.4 86.76 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.286 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.6 -38.98 88.12 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.554 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.619 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 m -59.48 -39.61 84.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.13 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 m -61.42 -46.05 91.74 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.799 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.49 93.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.243 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.09 75.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.57 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.03 -45.43 85.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -64.96 -44.34 89.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.5 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.608 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -60.51 -42.76 97.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.316 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.28 -41.36 99.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.156 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.75 -40.77 98.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.71 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.37 -39.58 86.68 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.807 2.338 . . . . 0.0 111.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.82 -41.27 97.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.14 -39.83 86.62 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -59.83 -46.62 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.718 178.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.84 96.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.43 -39.62 85.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.308 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.83 -37.94 73.2 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.137 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 1.2 m -58.75 -39.82 82.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.051 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.9 m -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.06 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.9 91.03 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.77 77.52 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.15 0.5 . . . . 0.0 110.428 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.2 -45.24 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.34 -44.12 88.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.465 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.69 88.27 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.497 0.665 . . . . 0.0 110.76 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.22 -42.95 99.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.148 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.55 -41.33 98.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.54 -40.94 98.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.532 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.468 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.232 0.135 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.02 -40.57 80.73 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.716 2.277 . . . . 0.0 111.935 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -66.86 -40.47 87.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.75 -39.79 92.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -44.85 92.81 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.675 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.91 91.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.751 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.75 -43.04 94.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.439 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.16 -38.88 89.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.8 -40.86 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.99 -45.07 95.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.77 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.88 96.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.838 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.26 88.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.096 0.474 . . . . 0.0 110.496 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.05 -44.89 83.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.2 -39.77 93.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.307 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.28 88.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.263 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.12 -41.11 99.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.18 -39.36 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.6 -41.04 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.73 -41.88 66.61 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.697 2.265 . . . . 0.0 112.125 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -66.21 -41.28 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.91 -39.91 91.14 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -45.48 91.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.649 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.94 89.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.47 -41.79 96.28 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.415 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.43 -38.61 81.36 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.672 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.664 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.62 -44.92 96.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.974 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.61 96.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.756 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.07 90.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.524 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.17 -44.91 82.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.12 -39.73 93.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.435 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.92 88.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.61 -41.38 98.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.059 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.7 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.6 -40.86 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.552 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.44 -34.48 93.01 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.478 1.452 . . . . 0.0 112.235 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.513 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -60.34 -42.56 95.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.751 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.96 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.145 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.56 -42.84 86.46 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.314 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.89 -38.75 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.34 -40.33 86.02 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -61.36 -44.34 97.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.03 94.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.785 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.6 88.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.057 0.455 . . . . 0.0 110.773 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.99 -44.39 89.44 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.562 0.696 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -62.89 -39.74 95.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.454 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.21 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -41.19 96.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.205 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -41.17 98.2 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.373 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.96 -40.96 99.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.715 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.05 -34.93 89.37 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.596 1.53 . . . . 0.0 112.263 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.13 -40.43 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.361 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.77 -41.44 95.49 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.88 -42.11 93.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.862 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.003 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -67.03 -41.32 86.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.53 -37.14 79.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -40.53 88.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.736 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.06 -43.76 98.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.097 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.25 94.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.651 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.5 89.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.688 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.38 -44.16 88.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.484 0.659 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -63.12 -39.78 95.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.382 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.13 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.55 -41.16 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.212 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.7 -41.09 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.728 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.65 -32.43 95.87 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 121.775 1.65 . . . . 0.0 112.14 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.88 -40.79 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.89 -42.01 90.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.11 95.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.907 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.69 93.32 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.219 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.14 -43.48 91.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.369 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.33 -39.33 89.18 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.343 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.24 -38.43 79.99 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -61.17 -45.98 92.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.144 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.47 94.04 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.268 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.77 -43.16 80.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.584 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.76 -45.18 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.65 -44.77 92.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.482 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.51 90.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.76 -40.66 97.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.5 -40.49 96.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.758 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.699 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.653 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 -32.9 96.9 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -41.14 89.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.47 -42.07 92.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.32 94.89 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.4 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.081 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.27 -41.02 94.62 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.449 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.16 -37.76 75.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.075 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -38.12 80.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.028 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.94 -45.83 93.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.48 93.82 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.213 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.52 80.43 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.009 0.433 . . . . 0.0 110.468 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.28 -44.91 90.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.481 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.81 -44.61 92.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.375 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.51 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.62 -43.32 97.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -40.41 96.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.5 -40.69 97.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.826 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.683 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.708 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.8 -39.52 83.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.7 2.266 . . . . 0.0 112.223 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.7 -43.83 97.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.18 -37.91 84.51 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -59.91 -47.04 87.37 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.782 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.19 93.7 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.428 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.08 -43.74 67.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.11 -41.82 94.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.46 -37.56 87.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.937 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -60.64 -44.05 96.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.83 96.31 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.03 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.344 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -65.28 -45.2 85.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.383 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.7 -41.99 98.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.38 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.46 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.87 -43.34 98.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.296 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.64 -41.04 93.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.13 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.46 0.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.1 -39.93 78.46 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.677 2.251 . . . . 0.0 112.14 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.84 -45.06 95.46 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.359 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.4 -38.22 87.0 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.13 -47.71 84.27 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.63 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.7 91.41 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.468 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.87 -42.1 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.65 -41.6 87.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.443 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -62.89 -38.07 89.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.17 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.41 -44.18 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.164 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.08 95.19 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.13 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.17 83.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.004 0.431 . . . . 0.0 110.275 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -65.57 -45.19 84.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.239 0.542 . . . . 0.0 110.346 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.74 -42.23 97.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.423 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.53 84.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.5 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.76 -41.27 92.29 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.116 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.86 -41.42 99.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.739 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -53.89 -39.98 82.39 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.748 2.299 . . . . 0.0 111.938 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -40.22 94.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.84 -41.34 95.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -45.02 95.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.646 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.21 94.24 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.716 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.28 -43.57 90.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.222 0.534 . . . . 0.0 110.591 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.15 -40.02 95.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -36.52 79.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -59.23 -45.3 91.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.82 98.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.495 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.97 94.27 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.422 . . . . 0.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -63.96 -44.3 93.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -63.52 -40.83 98.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.79 88.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.173 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.38 -39.43 93.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.449 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.88 -40.97 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.742 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.88 -40.88 74.08 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.763 2.309 . . . . 0.0 111.93 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.53 -40.71 96.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.631 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.95 -41.49 97.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -45.27 95.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.663 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.16 93.72 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -65.36 -42.59 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.625 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.82 -39.5 90.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -37.65 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.177 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.0 m -57.71 -45.2 86.07 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.85 98.06 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.525 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.82 94.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.98 0.419 . . . . 0.0 110.773 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.04 -44.44 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.106 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -63.57 -40.82 97.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.265 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.16 86.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.05 -41.37 99.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.55 -39.5 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.63 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.625 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 179.219 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.24 -33.0 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.517 1.478 . . . . 0.0 111.934 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.85 -40.92 83.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -67.23 -40.97 86.42 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.19 -43.94 95.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.103 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.41 93.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.053 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.1 -41.74 90.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.193 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.79 -39.37 93.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.12 -42.45 85.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 109.705 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -61.42 -44.82 96.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.114 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.84 95.8 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.813 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.06 88.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.234 0.54 . . . . 0.0 110.508 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' OE2' ' OE1' ' A' ' 17' ' ' GLU . 15.7 tm-20 -65.56 -44.66 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.02 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.36 -39.86 94.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.222 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.23 86.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.73 -42.57 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -62.11 -40.28 95.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.4 -40.85 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.733 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.67 -33.41 98.25 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.614 1.543 . . . . 0.0 112.097 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.96 -40.61 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -67.71 -41.26 83.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.78 -44.49 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.934 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.92 91.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.164 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.95 -40.67 87.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.44 -38.47 87.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -43.25 85.49 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.38 -44.55 96.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.436 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.66 96.42 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.537 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.56 89.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.072 0.463 . . . . 0.0 110.52 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' OE2' ' OE1' ' B' ' 17' ' ' GLU . 15.9 tm-20 -65.45 -44.73 86.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.45 -39.84 94.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.222 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.96 85.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.735 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.45 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.6 mt-10 -62.13 -40.4 95.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.17 -40.98 99.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.889 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.575 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.73 -28.47 86.55 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.043 1.829 . . . . 0.0 112.051 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.91 -40.26 91.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.35 -38.93 91.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.497 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -48.27 81.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.089 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.19 -39.75 95.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.74 -18.81 39.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.51 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.7 t -62.97 -46.13 89.17 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.43 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -64.12 -38.85 92.56 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.266 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.41 82.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.073 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.94 -42.49 85.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.168 0.508 . . . . 0.0 110.741 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -41.11 98.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.278 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.32 91.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.277 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.38 -41.27 98.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.304 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.11 -39.75 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.94 -40.77 98.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.789 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.55 -28.69 87.09 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.05 1.833 . . . . 0.0 112.099 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.2 -40.55 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 110.06 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.67 -39.12 93.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.745 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -49.43 77.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.683 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.63 97.1 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.754 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.71 -38.44 91.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.97 -16.75 39.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -64.11 -46.18 85.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.451 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -64.57 -38.35 90.69 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.239 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.28 94.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.29 81.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.908 0.385 . . . . 0.0 111.067 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.41 -42.0 83.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.634 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -41.03 98.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.385 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.29 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.957 0.408 . . . . 0.0 110.223 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.21 -41.19 98.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.268 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -39.75 93.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.14 -40.69 98.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -38.05 82.94 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.617 2.212 . . . . 0.0 111.83 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.85 -42.72 99.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.222 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.23 -39.11 89.32 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.194 0.521 . . . . 0.0 109.988 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.93 -46.48 84.95 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.335 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.94 87.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 0.0 110.563 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.52 -41.69 84.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.882 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.2 mt -65.81 -39.17 90.64 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.514 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 -37.93 81.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.931 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.52 -43.45 93.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.275 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.36 77.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.7 -44.15 91.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.476 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.21 -43.09 99.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.9 88.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.479 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.75 -43.91 97.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -63.98 -39.8 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.86 -41.32 99.33 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.32 -37.74 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.627 2.218 . . . . 0.0 111.923 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.61 -43.6 98.41 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.218 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.38 -39.65 92.54 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.078 0.466 . . . . 0.0 110.125 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.3 -47.08 82.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.108 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.85 89.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.444 . . . . 0.0 110.237 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -69.07 -39.82 78.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.725 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.1 -39.14 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -36.95 78.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.214 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.2 m -59.5 -42.49 92.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.58 93.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.37 82.21 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.84 -44.38 89.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.645 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.48 -43.02 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.517 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.72 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.452 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.93 -43.48 98.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.92 -40.45 96.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.62 -41.16 98.84 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.846 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.464 0.238 0 CA-C-O 120.84 0.353 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.61 -38.96 90.73 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.706 2.27 . . . . 0.0 111.9 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.19 -40.72 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -65.74 -41.19 92.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.71 -44.52 96.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.486 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.26 93.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.508 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.04 -44.04 93.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.441 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.66 -39.15 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.411 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.28 -40.17 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.078 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.82 -45.85 92.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.672 -0.411 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.3 94.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.968 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.86 87.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.29 -45.24 85.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.619 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.57 -41.88 92.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.367 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.89 92.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.91 -40.0 93.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.503 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.38 -40.84 98.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.885 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.882 0.372 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -39.65 84.95 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.002 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.57 -40.85 98.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.36 -41.37 93.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.96 -44.23 97.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.547 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.69 93.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.364 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -63.93 -43.34 96.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.415 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.86 -38.52 89.06 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.46 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.04 -40.24 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.097 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.84 -46.14 90.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.26 94.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.947 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.46 88.69 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.047 0.451 . . . . 0.0 110.52 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.43 -45.31 84.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.41 -41.83 93.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.446 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.222 0.534 . . . . 0.0 110.56 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -62.8 -41.4 99.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.0 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.67 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -41.97 73.35 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.553 2.168 . . . . 0.0 112.243 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.06 -38.97 86.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.73 -40.57 95.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.9 -44.91 93.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.801 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.972 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.25 -42.14 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.212 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.69 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -58.8 -41.31 86.44 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.922 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -62.2 -47.13 85.83 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.108 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.81 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.771 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.97 -42.35 81.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 13.0 tm-20 -64.4 -45.88 85.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.1 -40.81 95.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.334 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.435 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.57 -43.09 99.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.776 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -63.12 -40.21 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.22 -41.14 99.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.19 -42.74 65.79 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.563 2.175 . . . . 0.0 112.066 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.14 -39.52 89.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.75 -40.44 92.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.01 -45.1 93.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.794 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.8 92.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.852 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.77 -41.32 95.96 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.138 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.01 -38.34 88.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.65 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -58.1 -41.77 84.24 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.047 -179.581 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.78 -47.71 83.92 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.38 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.74 82.97 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.704 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.38 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' B' ' 9' ' ' CYS . 13.4 tm-20 -64.11 -45.75 87.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.13 -40.72 94.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.318 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.0 86.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.271 0.558 . . . . 0.0 110.302 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.815 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.5 mt-10 -63.82 -40.11 95.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.93 -38.11 86.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.614 2.21 . . . . 0.0 111.955 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.22 -43.53 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 8' ' ' LEU . 98.1 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.31 0.576 . . . . 0.0 109.824 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.8 -44.14 94.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.462 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.6 85.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.508 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -68.44 -42.86 78.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.246 -0.581 . . . . 0.0 111.036 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 4' ' ' GLU . 9.5 mp -65.55 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -59.83 -40.5 88.71 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -61.3 -42.52 98.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.702 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.86 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.94 93.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.56 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.38 -44.15 88.5 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 110.455 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.17 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.75 85.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.224 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.86 -40.62 96.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.151 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.0 -40.62 98.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 18' ' ' LEU . 96.3 mt -63.79 -40.5 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.09 -38.5 80.69 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.794 2.329 . . . . 0.0 112.031 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.45 -43.69 98.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.413 ' O ' HD13 ' B' ' 8' ' ' LEU . 98.0 mt-10 -65.73 -40.86 92.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.968 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.64 -43.53 93.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.569 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.54 86.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.386 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.62 -40.58 76.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.829 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 4' ' ' GLU . 8.2 mp -68.53 -38.03 80.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.054 0.454 . . . . 0.0 110.502 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 29.2 t -59.55 -40.83 88.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.776 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.4 m -61.59 -40.84 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.886 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.1 94.2 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.95 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.81 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.98 0.419 . . . . 0.0 110.457 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -65.39 -43.89 89.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.418 0.628 . . . . 0.0 110.416 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -39.11 92.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.219 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.09 84.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.46 -40.65 97.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.977 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.29 -40.85 98.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.381 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.87 -40.68 97.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.32 -34.28 97.78 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.394 2.062 . . . . 0.0 111.997 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.33 -42.93 87.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.189 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 -40.04 85.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -42.35 99.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.16 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.96 86.91 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.902 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -65.03 -44.65 88.42 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.557 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.22 -38.79 88.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.07 -41.26 87.56 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.526 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.111 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.63 94.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.55 88.68 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.988 0.423 . . . . 0.0 110.33 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.12 -45.39 85.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.672 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.603 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.51 92.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.13 -42.05 97.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.572 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.8 -39.87 95.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.67 -40.82 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -35.13 99.08 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.542 2.162 . . . . 0.0 112.088 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.39 -42.88 92.16 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.162 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.68 -39.82 84.44 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -41.66 99.47 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.51 82.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.831 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -64.58 -42.83 95.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.395 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -60.14 -41.09 91.96 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.821 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.8 m -61.6 -41.76 97.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.122 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.8 95.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.164 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.79 90.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.046 0.451 . . . . 0.0 110.263 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.71 -45.19 83.7 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.42 -42.86 95.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.416 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.21 92.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.265 0.555 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.52 -40.2 96.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.39 -41.03 98.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.28 -34.0 98.19 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 121.799 1.666 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.97 -41.21 87.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.242 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.14 -42.17 89.46 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -43.72 98.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.734 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.64 90.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.638 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.01 -42.31 89.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.247 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.91 -39.2 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.833 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -42.37 82.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -61.93 -44.84 95.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.849 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.44 94.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.03 84.78 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.063 0.459 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -65.59 -44.48 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -65.26 -41.0 94.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.39 91.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.291 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.132 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.18 -40.52 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.63 -40.96 98.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -34.57 98.93 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.858 1.705 . . . . 0.0 112.126 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.7 -40.88 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.2 -42.26 89.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -43.13 99.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.72 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.81 89.74 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.523 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.62 -41.25 88.66 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.331 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.68 -37.32 82.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.845 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.81 -41.91 87.93 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -62.14 -44.57 96.33 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.91 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.36 94.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.787 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.8 85.38 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.06 0.457 . . . . 0.0 110.567 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.83 -44.38 85.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.736 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -65.24 -41.02 94.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.15 90.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.295 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.95 -41.52 99.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.014 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.24 -40.51 96.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.65 -40.89 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.11 -39.01 87.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.652 2.235 . . . . 0.0 111.871 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.68 -41.26 96.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.253 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.51 -41.0 96.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.89 -45.48 93.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 178.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.33 96.28 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.674 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' THR . 15.8 tm0? -63.66 -39.14 93.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.1 -23.55 41.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.443 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ARG . 30.3 t -61.17 -46.3 91.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 7' ' ' GLN . 5.2 t -61.62 -37.85 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.185 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.8 96.56 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.65 74.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.193 0.52 . . . . 0.0 110.992 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.07 -42.33 89.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.6 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.17 -40.26 95.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.301 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.81 91.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -62.27 -40.16 95.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.08 -38.73 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.25 -41.17 98.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.822 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.899 0.38 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.22 -38.99 82.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.672 2.248 . . . . 0.0 111.811 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.0 -41.19 97.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.215 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.67 -40.93 96.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.41 93.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.09 95.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -64.46 -37.18 86.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.14 -21.84 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.24 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.67 -47.91 83.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.689 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' B' ' 11' ' ' ALA . 5.0 t -59.4 -38.39 80.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' B' ' 10' ' ' THR . . . -60.98 -44.93 96.66 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.296 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.47 -45.85 74.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.287 0.565 . . . . 0.0 110.958 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.07 -41.93 90.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.43 -40.22 95.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.35 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.41 90.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.66 -40.32 96.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.235 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.25 -38.83 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.29 -40.89 97.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.72 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.438 ' OG ' ' HB1' ' B' ' 15' ' ' ALA . 88.0 p . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -59.93 -34.31 95.28 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.991 1.794 . . . . 0.0 112.169 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.66 -40.4 84.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.228 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.29 -41.58 89.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.67 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.459 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.49 91.92 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.942 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -65.08 -43.5 91.95 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.16 -38.6 91.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -59.96 -39.3 85.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.52 -45.95 92.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.34 94.48 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.146 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.81 87.65 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.148 0.499 . . . . 0.0 110.674 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.71 -45.13 87.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.03 -44.09 93.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.691 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.97 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.761 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.75 -41.66 97.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.608 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -63.14 -40.02 96.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 18' ' ' LEU . 95.9 mt -62.4 -41.12 98.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.98 -35.67 92.46 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.046 1.831 . . . . 0.0 112.09 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.41 -40.56 89.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.234 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.7 -41.89 87.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.81 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -42.81 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.441 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.78 92.68 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.696 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.11 -42.46 93.93 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.438 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.68 -36.9 83.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.856 0.36 . . . . 0.0 110.369 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -60.18 -39.74 87.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.86 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.092 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.255 0.55 . . . . 0.0 110.559 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.36 -44.84 86.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.92 -43.93 94.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.68 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.438 ' HB1' ' OG ' ' A' ' 1' ' ' SER . . . -62.39 -39.08 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.87 -41.77 98.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.93 -39.99 96.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.4 -40.81 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.525 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.75 -37.15 91.96 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.861 2.374 . . . . 0.0 111.803 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.88 -40.44 91.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.49 -39.05 92.2 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.313 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -58.38 -46.0 87.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.65 93.19 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.531 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.1 -40.12 90.5 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 37.8 m -62.35 -39.13 92.11 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.733 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -60.27 -44.73 95.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.81 95.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.764 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.68 89.73 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.608 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.21 -45.02 86.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -64.6 -39.45 93.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.217 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.279 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.15 -41.08 97.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.85 -40.68 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.63 -37.7 83.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.907 2.405 . . . . 0.0 112.009 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.49 -40.7 93.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.01 -39.4 92.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.434 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.614 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -57.97 -46.42 85.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 179.169 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.234 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.58 -39.25 73.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.051 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.04 -38.69 79.28 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.314 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.614 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 57.8 m -62.17 -39.75 93.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.713 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.55 -44.54 93.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.91 96.39 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.793 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.32 89.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.074 0.464 . . . . 0.0 110.536 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.71 -44.86 84.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -64.58 -39.39 93.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.049 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.25 89.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.261 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.01 -41.09 97.7 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.0 -40.92 97.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 18' ' ' LEU . 94.6 mt -63.64 -40.67 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.16 -34.94 98.62 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.345 2.03 . . . . 0.0 111.957 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.37 -42.02 88.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.19 -39.95 86.43 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -43.26 97.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.229 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.51 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.528 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.78 -42.13 91.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.31 -39.32 92.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.72 -41.16 81.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -62.03 -44.39 96.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.963 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.1 95.99 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.103 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.08 85.32 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.032 0.444 . . . . 0.0 110.294 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.92 -44.37 89.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.545 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.6 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.64 90.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.81 -43.55 98.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.358 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.21 -40.84 96.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.57 -41.04 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.61 -35.65 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.484 2.123 . . . . 0.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.93 -41.7 91.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.89 -39.76 83.62 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -42.71 97.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.91 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.11 -41.1 91.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.57 -38.83 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.37 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.3 t -58.19 -40.59 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -62.51 -44.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.32 95.01 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.016 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.59 87.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.305 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -65.28 -44.39 88.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.551 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -42.34 97.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.613 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.37 89.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.408 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.23 -40.95 97.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.37 -40.8 97.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.743 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.55 -37.81 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.715 2.276 . . . . 0.0 111.914 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.308 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.03 -38.93 92.51 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.164 0.507 . . . . 0.0 110.014 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.51 88.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.357 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.39 90.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.545 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 98.9 mm-40 -68.88 -41.88 77.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.145 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.62 -38.23 88.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.711 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -57.72 -43.68 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.144 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 7' ' ' GLN . 3.9 p -63.2 -35.86 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.636 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.23 98.73 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.39 -49.08 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.116 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.14 -44.11 89.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.88 -41.25 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.23 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.86 -40.48 97.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.53 -40.07 96.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.881 0.372 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.32 -37.58 81.25 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.717 2.278 . . . . 0.0 111.984 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.23 -42.24 99.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.29 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.44 -39.42 93.8 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -46.92 87.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.228 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.7 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 110.325 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.51 -39.79 73.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.021 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.05 -36.56 80.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -58.1 -44.83 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -61.43 -36.43 80.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.64 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.461 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.84 -48.47 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -62.98 -41.06 99.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.248 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.89 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.27 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.689 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.93 -32.27 94.88 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.114 1.876 . . . . 0.0 112.294 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.43 -42.2 88.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.841 0.353 . . . . 0.0 110.198 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.7 -39.48 84.4 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -46.41 86.38 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.58 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.89 92.22 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.767 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -69.85 -41.23 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.993 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.16 -39.79 93.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.66 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -61.18 -40.09 92.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.584 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -61.55 -42.83 99.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.846 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.57 91.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.214 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.31 89.56 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.594 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -65.01 -45.25 86.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.381 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -65.8 -38.05 87.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -36.35 75.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.64 -40.39 91.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.78 -41.26 95.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.444 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.87 -40.48 97.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.36 -31.72 95.41 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.189 1.926 . . . . 0.0 111.984 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.65 -42.35 86.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.183 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.68 -40.06 84.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.94 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -46.41 84.65 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.406 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.1 90.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.521 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -70.73 -39.94 73.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.21 -39.17 89.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 110.559 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -61.61 -39.84 92.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.054 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -61.82 -41.98 98.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.59 93.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.19 90.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.449 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -65.03 -45.37 85.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.78 -38.31 88.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.855 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.93 74.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.37 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.8 -40.88 94.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.386 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.64 -41.3 96.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.0 mt -62.89 -40.84 98.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.769 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.71 -39.22 90.27 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.792 2.328 . . . . 0.0 111.879 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.52 -41.18 96.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.06 -39.91 86.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.374 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.619 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -59.82 -45.85 91.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.762 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.431 ' HA ' HH21 ' A' ' 5' ' ' ARG . . . -61.52 -44.89 96.25 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.64 -42.4 86.76 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.286 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 6.6 mp -66.6 -38.98 88.12 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.554 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.619 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 m -59.48 -39.61 84.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.13 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 m -61.42 -46.05 91.74 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.799 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.49 93.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.243 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.91 -45.09 75.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.57 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.03 -45.43 85.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -64.96 -44.34 89.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.5 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.608 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -60.51 -42.76 97.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.316 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.28 -41.36 99.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.156 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.75 -40.77 98.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.71 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.37 -39.58 86.68 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.807 2.338 . . . . 0.0 111.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.82 -41.27 97.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.14 -39.83 86.62 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -59.83 -46.62 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.718 178.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HA ' HH21 ' B' ' 5' ' ' ARG . . . -60.89 -44.84 96.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -67.43 -39.62 85.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.308 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 6.3 mp -70.83 -37.94 73.2 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.137 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 1.2 m -58.75 -39.82 82.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.051 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.9 m -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.06 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.9 91.03 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -67.54 -44.77 77.52 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.15 0.5 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.2 -45.24 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.34 -44.12 88.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.465 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.69 88.27 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.497 0.665 . . . . 0.0 110.76 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.22 -42.95 99.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.148 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.55 -41.33 98.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.54 -40.94 98.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.532 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.468 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.232 0.135 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.02 -40.57 80.73 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.716 2.277 . . . . 0.0 111.935 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -66.86 -40.47 87.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.75 -39.79 92.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -44.85 92.81 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.675 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.91 91.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.751 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.75 -43.04 94.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.439 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.16 -38.88 89.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.8 -40.86 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.99 -45.07 95.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.77 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.88 96.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.838 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.26 88.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.096 0.474 . . . . 0.0 110.496 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.05 -44.89 83.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.2 -39.77 93.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.307 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.28 88.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.263 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.12 -41.11 99.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.18 -39.36 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.6 -41.04 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.73 -41.88 66.61 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.697 2.265 . . . . 0.0 112.125 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -66.21 -41.28 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.91 -39.91 91.14 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -45.48 91.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.649 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.94 89.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.47 -41.79 96.28 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.415 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.43 -38.61 81.36 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.672 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.664 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.62 -44.92 96.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.974 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.61 96.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.756 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.07 90.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.524 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.17 -44.91 82.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.12 -39.73 93.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.435 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.92 88.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.61 -41.38 98.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.059 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.7 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.6 -40.86 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.552 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.44 -34.48 93.01 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.478 1.452 . . . . 0.0 112.235 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.513 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -60.34 -42.56 95.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.751 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.96 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.145 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.56 -42.84 86.46 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.314 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.89 -38.75 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.34 -40.33 86.02 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -61.36 -44.34 97.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.03 94.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.785 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.6 88.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.057 0.455 . . . . 0.0 110.773 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.99 -44.39 89.44 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.562 0.696 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -62.89 -39.74 95.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.454 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.21 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -41.19 96.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.205 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -41.17 98.2 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.373 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.96 -40.96 99.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.715 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.05 -34.93 89.37 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.596 1.53 . . . . 0.0 112.263 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.13 -40.43 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.361 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.77 -41.44 95.49 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.88 -42.11 93.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.862 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.003 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -67.03 -41.32 86.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.53 -37.14 79.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -40.53 88.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.736 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.06 -43.76 98.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.097 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.25 94.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.651 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.5 89.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.688 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.38 -44.16 88.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.484 0.659 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -63.12 -39.78 95.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.382 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.13 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.55 -41.16 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.212 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.7 -41.09 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.728 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.65 -32.43 95.87 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 121.775 1.65 . . . . 0.0 112.14 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.88 -40.79 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.89 -42.01 90.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.11 95.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.907 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.69 93.32 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.219 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.14 -43.48 91.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.369 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 3.2 mm? -66.33 -39.33 89.18 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.343 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.24 -38.43 79.99 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -61.17 -45.98 92.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.144 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -61.54 -45.47 94.04 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.268 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.77 -43.16 80.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.584 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.76 -45.18 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.65 -44.77 92.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.482 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.51 90.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.76 -40.66 97.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.5 -40.49 96.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.758 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.699 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.653 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 -32.9 96.9 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -41.14 89.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.47 -42.07 92.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.32 94.89 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.4 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.081 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.27 -41.02 94.62 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.449 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -70.16 -37.76 75.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.075 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -38.12 80.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.028 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.94 -45.83 93.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.474 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -61.68 -45.48 93.82 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.213 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -68.04 -42.52 80.43 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.009 0.433 . . . . 0.0 110.468 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.28 -44.91 90.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.481 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.81 -44.61 92.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.375 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.51 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.62 -43.32 97.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -40.41 96.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.5 -40.69 97.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.826 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.683 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.708 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.8 -39.52 83.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.7 2.266 . . . . 0.0 112.223 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.7 -43.83 97.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.18 -37.91 84.51 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -59.91 -47.04 87.37 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.782 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.19 93.7 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.428 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.08 -43.74 67.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.11 -41.82 94.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.46 -37.56 87.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.937 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -60.64 -44.05 96.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.83 96.31 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.03 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.344 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -65.28 -45.2 85.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.383 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.7 -41.99 98.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.38 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.46 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.87 -43.34 98.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.296 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.64 -41.04 93.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.13 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.46 0.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.1 -39.93 78.46 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.677 2.251 . . . . 0.0 112.14 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.84 -45.06 95.46 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.359 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.4 -38.22 87.0 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.13 -47.71 84.27 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.63 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.7 91.41 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.468 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.87 -42.1 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.65 -41.6 87.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.443 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -62.89 -38.07 89.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.17 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.41 -44.18 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.164 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.08 95.19 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.13 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.17 83.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.004 0.431 . . . . 0.0 110.275 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -65.57 -45.19 84.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.239 0.542 . . . . 0.0 110.346 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.74 -42.23 97.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.423 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.53 84.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.5 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.76 -41.27 92.29 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.116 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.86 -41.42 99.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.739 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -53.89 -39.98 82.39 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.748 2.299 . . . . 0.0 111.938 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -40.22 94.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.84 -41.34 95.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -45.02 95.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.646 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.21 94.24 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.716 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.28 -43.57 90.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.222 0.534 . . . . 0.0 110.591 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.15 -40.02 95.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -36.52 79.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -59.23 -45.3 91.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.82 98.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.495 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.97 94.27 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.422 . . . . 0.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -63.96 -44.3 93.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -63.52 -40.83 98.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.79 88.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.173 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.38 -39.43 93.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.449 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.88 -40.97 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.742 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.88 -40.88 74.08 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.763 2.309 . . . . 0.0 111.93 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.53 -40.71 96.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.631 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.95 -41.49 97.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -45.27 95.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.663 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.16 93.72 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -65.36 -42.59 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.625 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.82 -39.5 90.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -37.65 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.177 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.0 m -57.71 -45.2 86.07 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.85 98.06 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.525 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.82 94.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.98 0.419 . . . . 0.0 110.773 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.04 -44.44 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.106 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -63.57 -40.82 97.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.265 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.16 86.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.05 -41.37 99.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.55 -39.5 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.63 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.625 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 179.219 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.24 -33.0 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.517 1.478 . . . . 0.0 111.934 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.85 -40.92 83.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -67.23 -40.97 86.42 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.19 -43.94 95.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.103 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.41 93.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.053 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.1 -41.74 90.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.193 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.79 -39.37 93.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.12 -42.45 85.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 109.705 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -61.42 -44.82 96.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.114 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.84 95.8 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.813 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.06 88.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.234 0.54 . . . . 0.0 110.508 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' OE2' ' OE1' ' A' ' 17' ' ' GLU . 15.7 tm-20 -65.56 -44.66 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.02 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.36 -39.86 94.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.222 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.23 86.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.73 -42.57 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -62.11 -40.28 95.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.4 -40.85 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.733 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.67 -33.41 98.25 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.614 1.543 . . . . 0.0 112.097 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.96 -40.61 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -67.71 -41.26 83.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.78 -44.49 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.934 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.92 91.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.164 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.95 -40.67 87.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.44 -38.47 87.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -43.25 85.49 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.38 -44.55 96.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.436 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.66 96.42 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.537 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.56 89.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.072 0.463 . . . . 0.0 110.52 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' OE2' ' OE1' ' B' ' 17' ' ' GLU . 15.9 tm-20 -65.45 -44.73 86.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.45 -39.84 94.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.222 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.96 85.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.735 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.45 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.6 mt-10 -62.13 -40.4 95.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.6 mt -63.17 -40.98 99.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.889 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.73 -28.47 86.55 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.043 1.829 . . . . 0.0 112.051 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.91 -40.26 91.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.35 -38.93 91.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.497 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -48.27 81.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.089 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.19 -39.75 95.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.74 -18.81 39.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.51 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.7 t -62.97 -46.13 89.17 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.43 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -64.12 -38.85 92.56 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.266 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.41 82.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.073 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.94 -42.49 85.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.168 0.508 . . . . 0.0 110.741 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -41.11 98.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.278 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.32 91.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.277 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.38 -41.27 98.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.304 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.11 -39.75 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.94 -40.77 98.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.789 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.55 -28.69 87.09 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.05 1.833 . . . . 0.0 112.099 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.2 -40.55 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 110.06 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.67 -39.12 93.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.745 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -58.83 -49.43 77.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.683 179.317 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' B' ' 5' ' ' ARG . . . -61.15 -41.63 97.1 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.754 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.71 -38.44 91.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.97 -16.75 39.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -64.11 -46.18 85.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.451 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -64.57 -38.35 90.69 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.239 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.28 94.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.29 81.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.908 0.385 . . . . 0.0 111.067 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.41 -42.0 83.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.634 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -41.03 98.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.385 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.29 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.957 0.408 . . . . 0.0 110.223 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.21 -41.19 98.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.268 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -39.75 93.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.14 -40.69 98.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -38.05 82.94 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.617 2.212 . . . . 0.0 111.83 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.85 -42.72 99.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.222 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.23 -39.11 89.32 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.194 0.521 . . . . 0.0 109.988 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.93 -46.48 84.95 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.335 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.94 87.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 0.0 110.563 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.52 -41.69 84.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.882 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.2 mt -65.81 -39.17 90.64 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.514 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 -37.93 81.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.931 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.52 -43.45 93.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.275 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.36 77.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.7 -44.15 91.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.476 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.21 -43.09 99.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.9 88.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.479 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.75 -43.91 97.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -63.98 -39.8 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.86 -41.32 99.33 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.32 -37.74 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.627 2.218 . . . . 0.0 111.923 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.61 -43.6 98.41 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.218 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.38 -39.65 92.54 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.078 0.466 . . . . 0.0 110.125 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.3 -47.08 82.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.108 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.85 89.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.444 . . . . 0.0 110.237 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -69.07 -39.82 78.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.725 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.1 -39.14 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -36.95 78.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.214 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.2 m -59.5 -42.49 92.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.58 93.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.37 82.21 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.84 -44.38 89.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.645 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.48 -43.02 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.517 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.72 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.452 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.93 -43.48 98.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.92 -40.45 96.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.62 -41.16 98.84 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.846 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.464 0.238 0 CA-C-O 120.84 0.353 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.61 -38.96 90.73 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.706 2.27 . . . . 0.0 111.9 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.19 -40.72 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -65.74 -41.19 92.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.71 -44.52 96.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.486 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.26 93.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.508 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.04 -44.04 93.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.441 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.66 -39.15 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.411 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.28 -40.17 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.078 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.82 -45.85 92.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.672 -0.411 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.3 94.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.968 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.86 87.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.29 -45.24 85.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.619 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.57 -41.88 92.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.367 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.89 92.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.91 -40.0 93.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.503 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.38 -40.84 98.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.885 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.882 0.372 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -39.65 84.95 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.002 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.57 -40.85 98.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.36 -41.37 93.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.96 -44.23 97.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.547 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.69 93.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.364 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -63.93 -43.34 96.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.415 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.86 -38.52 89.06 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.46 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.04 -40.24 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.097 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.84 -46.14 90.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.26 94.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.947 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.46 88.69 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.047 0.451 . . . . 0.0 110.52 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.43 -45.31 84.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.41 -41.83 93.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.446 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.222 0.534 . . . . 0.0 110.56 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -62.8 -41.4 99.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.0 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.67 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -41.97 73.35 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.553 2.168 . . . . 0.0 112.243 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.06 -38.97 86.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.73 -40.57 95.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.9 -44.91 93.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.801 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.972 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.25 -42.14 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.212 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.69 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -58.8 -41.31 86.44 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.922 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -62.2 -47.13 85.83 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.108 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.81 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.771 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.97 -42.35 81.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 13.0 tm-20 -64.4 -45.88 85.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.1 -40.81 95.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.334 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.435 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.57 -43.09 99.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.776 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -63.12 -40.21 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.22 -41.14 99.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.19 -42.74 65.79 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.563 2.175 . . . . 0.0 112.066 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.14 -39.52 89.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.75 -40.44 92.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.01 -45.1 93.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.794 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.8 92.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.852 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.77 -41.32 95.96 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.138 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.01 -38.34 88.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.65 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -58.1 -41.77 84.24 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.047 -179.581 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.78 -47.71 83.92 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.38 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.74 82.97 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.704 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.38 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' B' ' 9' ' ' CYS . 13.4 tm-20 -64.11 -45.75 87.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.13 -40.72 94.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.318 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.0 86.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.271 0.558 . . . . 0.0 110.302 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.815 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.5 mt-10 -63.82 -40.11 95.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 179.705 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' B74 . . . . . 0.401 ' CE1' ' HA ' ' A' ' 9' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.93 -38.11 86.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.614 2.21 . . . . 0.0 111.955 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.22 -43.53 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 8' ' ' LEU . 98.1 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.31 0.576 . . . . 0.0 109.824 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.8 -44.14 94.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.462 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.6 85.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.508 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -68.44 -42.86 78.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.246 -0.581 . . . . 0.0 111.036 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 4' ' ' GLU . 9.5 mp -65.55 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -59.83 -40.5 88.71 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -61.3 -42.52 98.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.702 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.86 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.94 93.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.56 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.38 -44.15 88.5 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 110.455 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.17 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.75 85.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.224 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.86 -40.62 96.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.151 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.0 -40.62 98.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 18' ' ' LEU . 96.3 mt -63.79 -40.5 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.09 -38.5 80.69 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.794 2.329 . . . . 0.0 112.031 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.45 -43.69 98.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' O ' HD13 ' B' ' 8' ' ' LEU . 98.0 mt-10 -65.73 -40.86 92.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.968 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.64 -43.53 93.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.569 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.54 86.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.386 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.62 -40.58 76.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.829 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 4' ' ' GLU . 8.2 mp -68.53 -38.03 80.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.054 0.454 . . . . 0.0 110.502 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 29.2 t -59.55 -40.83 88.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.776 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.4 m -61.59 -40.84 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.886 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.1 94.2 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.95 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.81 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.98 0.419 . . . . 0.0 110.457 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -65.39 -43.89 89.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.418 0.628 . . . . 0.0 110.416 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -39.11 92.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.219 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.09 84.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.46 -40.65 97.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.977 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.29 -40.85 98.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.381 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.87 -40.68 97.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.32 -34.28 97.78 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.394 2.062 . . . . 0.0 111.997 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.33 -42.93 87.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.189 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 -40.04 85.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -42.35 99.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.16 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.96 86.91 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.902 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -65.03 -44.65 88.42 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.557 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.22 -38.79 88.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.07 -41.26 87.56 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.526 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.111 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.63 94.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.55 88.68 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.988 0.423 . . . . 0.0 110.33 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.12 -45.39 85.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.672 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.603 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.51 92.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.13 -42.05 97.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.572 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.8 -39.87 95.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.67 -40.82 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -35.13 99.08 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.542 2.162 . . . . 0.0 112.088 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.39 -42.88 92.16 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.162 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.68 -39.82 84.44 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -41.66 99.47 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.51 82.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.831 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -64.58 -42.83 95.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.395 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -60.14 -41.09 91.96 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.821 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.8 m -61.6 -41.76 97.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.122 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.8 95.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.164 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.79 90.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.046 0.451 . . . . 0.0 110.263 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.71 -45.19 83.7 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.42 -42.86 95.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.416 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.21 92.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.265 0.555 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.52 -40.2 96.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.39 -41.03 98.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.28 -34.0 98.19 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 121.799 1.666 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.97 -41.21 87.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.242 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.14 -42.17 89.46 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -43.72 98.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.734 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.64 90.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.638 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.01 -42.31 89.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.247 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.91 -39.2 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.833 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -42.37 82.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -61.93 -44.84 95.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.849 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.44 94.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.03 84.78 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.063 0.459 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -65.59 -44.48 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -65.26 -41.0 94.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.39 91.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.291 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.132 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.18 -40.52 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.63 -40.96 98.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -34.57 98.93 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.858 1.705 . . . . 0.0 112.126 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.7 -40.88 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.2 -42.26 89.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -43.13 99.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.72 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.81 89.74 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.523 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.62 -41.25 88.66 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.331 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.68 -37.32 82.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.845 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.81 -41.91 87.93 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -62.14 -44.57 96.33 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.91 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.36 94.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.787 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.8 85.38 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.06 0.457 . . . . 0.0 110.567 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.83 -44.38 85.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.736 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -65.24 -41.02 94.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.15 90.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.295 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.95 -41.52 99.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.014 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.24 -40.51 96.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.65 -40.89 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.11 -39.01 87.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.652 2.235 . . . . 0.0 111.871 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.68 -41.26 96.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.253 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.51 -41.0 96.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.89 -45.48 93.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 178.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.33 96.28 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.674 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' THR . 15.8 tm0? -63.66 -39.14 93.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.1 -23.55 41.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.443 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ARG . 30.3 t -61.17 -46.3 91.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 7' ' ' GLN . 5.2 t -61.62 -37.85 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.185 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.8 96.56 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.65 74.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.193 0.52 . . . . 0.0 110.992 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.07 -42.33 89.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.6 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.17 -40.26 95.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.301 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.81 91.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -62.27 -40.16 95.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.08 -38.73 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.25 -41.17 98.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.822 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.899 0.38 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.22 -38.99 82.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.672 2.248 . . . . 0.0 111.811 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.0 -41.19 97.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.215 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.67 -40.93 96.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.41 93.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.09 95.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -64.46 -37.18 86.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.14 -21.84 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.24 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.67 -47.91 83.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.689 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' B' ' 11' ' ' ALA . 5.0 t -59.4 -38.39 80.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' B' ' 10' ' ' THR . . . -60.98 -44.93 96.66 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.296 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.47 -45.85 74.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.287 0.565 . . . . 0.0 110.958 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.07 -41.93 90.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.43 -40.22 95.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.35 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.41 90.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.66 -40.32 96.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.235 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.25 -38.83 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.29 -40.89 97.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.72 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.438 ' OG ' ' HB1' ' B' ' 15' ' ' ALA . 88.0 p . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -59.93 -34.31 95.28 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.991 1.794 . . . . 0.0 112.169 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.66 -40.4 84.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.228 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.29 -41.58 89.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.67 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.459 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.49 91.92 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.942 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -65.08 -43.5 91.95 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.16 -38.6 91.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -59.96 -39.3 85.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.52 -45.95 92.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.34 94.48 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.146 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.81 87.65 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.148 0.499 . . . . 0.0 110.674 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.71 -45.13 87.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.03 -44.09 93.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.691 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.97 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.761 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.75 -41.66 97.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.608 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -63.14 -40.02 96.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 18' ' ' LEU . 95.9 mt -62.4 -41.12 98.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.98 -35.67 92.46 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.046 1.831 . . . . 0.0 112.09 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.41 -40.56 89.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.234 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.7 -41.89 87.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.81 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -42.81 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.441 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.78 92.68 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.696 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.11 -42.46 93.93 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.438 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.68 -36.9 83.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.856 0.36 . . . . 0.0 110.369 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -60.18 -39.74 87.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.86 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.092 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.255 0.55 . . . . 0.0 110.559 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.36 -44.84 86.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.92 -43.93 94.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.68 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.438 ' HB1' ' OG ' ' A' ' 1' ' ' SER . . . -62.39 -39.08 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.87 -41.77 98.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.93 -39.99 96.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.4 -40.81 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.525 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.75 -37.15 91.96 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.861 2.374 . . . . 0.0 111.803 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.88 -40.44 91.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.49 -39.05 92.2 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.313 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -58.38 -46.0 87.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.65 93.19 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.531 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.1 -40.12 90.5 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 37.8 m -62.35 -39.13 92.11 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.733 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -60.27 -44.73 95.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.81 95.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.764 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.68 89.73 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.608 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.21 -45.02 86.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -64.6 -39.45 93.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.217 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.279 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.15 -41.08 97.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.85 -40.68 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.63 -37.7 83.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.907 2.405 . . . . 0.0 112.009 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.49 -40.7 93.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.01 -39.4 92.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.434 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.614 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -57.97 -46.42 85.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 179.169 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.234 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.58 -39.25 73.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.051 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.04 -38.69 79.28 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.314 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.614 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 57.8 m -62.17 -39.75 93.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.713 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.55 -44.54 93.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.91 96.39 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.793 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.32 89.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.074 0.464 . . . . 0.0 110.536 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.71 -44.86 84.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -64.58 -39.39 93.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.049 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.25 89.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.261 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.01 -41.09 97.7 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.0 -40.92 97.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 18' ' ' LEU . 94.6 mt -63.64 -40.67 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.16 -34.94 98.62 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.345 2.03 . . . . 0.0 111.957 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.37 -42.02 88.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.19 -39.95 86.43 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -43.26 97.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.229 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.51 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.528 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.78 -42.13 91.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.31 -39.32 92.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.72 -41.16 81.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -62.03 -44.39 96.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.963 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.1 95.99 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.103 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.08 85.32 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.032 0.444 . . . . 0.0 110.294 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.92 -44.37 89.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.545 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.6 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.64 90.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.81 -43.55 98.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.358 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.21 -40.84 96.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.57 -41.04 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.61 -35.65 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.484 2.123 . . . . 0.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.93 -41.7 91.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.89 -39.76 83.62 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -42.71 97.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.91 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.11 -41.1 91.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.57 -38.83 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.37 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.3 t -58.19 -40.59 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -62.51 -44.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.32 95.01 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.016 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.59 87.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.305 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -65.28 -44.39 88.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.551 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -42.34 97.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.613 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.37 89.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.408 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.23 -40.95 97.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.37 -40.8 97.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.743 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.803 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.55 -37.81 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.715 2.276 . . . . 0.0 111.914 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.308 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.03 -38.93 92.51 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.164 0.507 . . . . 0.0 110.014 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.51 88.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.357 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.39 90.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.545 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 98.9 mm-40 -68.88 -41.88 77.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.145 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.62 -38.23 88.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.711 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -57.72 -43.68 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.144 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 7' ' ' GLN . 3.9 p -63.2 -35.86 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.636 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.23 98.73 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.39 -49.08 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.116 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.14 -44.11 89.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.88 -41.25 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.23 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.86 -40.48 97.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.53 -40.07 96.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.881 0.372 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.32 -37.58 81.25 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.717 2.278 . . . . 0.0 111.984 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.23 -42.24 99.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.29 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.44 -39.42 93.8 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -46.92 87.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.228 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.7 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 110.325 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.51 -39.79 73.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.021 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.05 -36.56 80.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -58.1 -44.83 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -61.43 -36.43 80.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.64 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.461 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.84 -48.47 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -62.98 -41.06 99.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.248 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.89 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.27 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.689 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.93 -32.27 94.88 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.114 1.876 . . . . 0.0 112.294 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.43 -42.2 88.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.841 0.353 . . . . 0.0 110.198 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.7 -39.48 84.4 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -46.41 86.38 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.58 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.89 92.22 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.767 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -69.85 -41.23 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.993 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.16 -39.79 93.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.66 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -61.18 -40.09 92.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.584 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -61.55 -42.83 99.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.846 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.57 91.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.214 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.31 89.56 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.594 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -65.01 -45.25 86.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.381 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -65.8 -38.05 87.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -36.35 75.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.64 -40.39 91.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.78 -41.26 95.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.444 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.87 -40.48 97.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.36 -31.72 95.41 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.189 1.926 . . . . 0.0 111.984 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.65 -42.35 86.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.183 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.68 -40.06 84.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.94 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -46.41 84.65 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.406 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.1 90.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.521 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -70.73 -39.94 73.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.21 -39.17 89.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 110.559 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -61.61 -39.84 92.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.054 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -61.82 -41.98 98.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.59 93.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.19 90.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.449 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -65.03 -45.37 85.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.78 -38.31 88.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.855 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.93 74.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.37 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.8 -40.88 94.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.386 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.64 -41.3 96.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.0 mt -62.89 -40.84 98.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.769 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.71 -39.22 90.27 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.792 2.328 . . . . 0.0 111.879 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.52 -41.18 96.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.06 -39.91 86.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.374 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.619 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -59.82 -45.85 91.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.762 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.431 ' HA ' HH21 ' A' ' 5' ' ' ARG . . . -61.52 -44.89 96.25 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.64 -42.4 86.76 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.286 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 6.6 mp -66.6 -38.98 88.12 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.554 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.619 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 m -59.48 -39.61 84.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.13 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 m -61.42 -46.05 91.74 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.799 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.49 93.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.243 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.91 -45.09 75.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.57 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.03 -45.43 85.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -64.96 -44.34 89.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.5 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.608 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -60.51 -42.76 97.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.316 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.28 -41.36 99.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.156 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.75 -40.77 98.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.71 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.37 -39.58 86.68 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.807 2.338 . . . . 0.0 111.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.82 -41.27 97.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.14 -39.83 86.62 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -59.83 -46.62 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.718 178.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HA ' HH21 ' B' ' 5' ' ' ARG . . . -60.89 -44.84 96.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -67.43 -39.62 85.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.308 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 6.3 mp -70.83 -37.94 73.2 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.137 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 1.2 m -58.75 -39.82 82.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.051 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.9 m -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.06 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.9 91.03 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -67.54 -44.77 77.52 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.15 0.5 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.2 -45.24 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.34 -44.12 88.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.465 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.69 88.27 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.497 0.665 . . . . 0.0 110.76 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.22 -42.95 99.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.148 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.55 -41.33 98.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.54 -40.94 98.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.532 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.468 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.232 0.135 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.02 -40.57 80.73 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.716 2.277 . . . . 0.0 111.935 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -66.86 -40.47 87.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.75 -39.79 92.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -44.85 92.81 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.675 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.91 91.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.751 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.75 -43.04 94.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.439 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.16 -38.88 89.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.8 -40.86 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.99 -45.07 95.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.77 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.88 96.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.838 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.26 88.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.096 0.474 . . . . 0.0 110.496 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.05 -44.89 83.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.2 -39.77 93.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.307 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.28 88.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.263 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.12 -41.11 99.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.18 -39.36 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.6 -41.04 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.73 -41.88 66.61 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.697 2.265 . . . . 0.0 112.125 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -66.21 -41.28 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.91 -39.91 91.14 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -45.48 91.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.649 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.94 89.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.47 -41.79 96.28 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.415 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.43 -38.61 81.36 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.672 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.664 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.62 -44.92 96.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.974 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.61 96.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.756 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.07 90.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.524 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.17 -44.91 82.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.12 -39.73 93.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.435 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.92 88.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.61 -41.38 98.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.059 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.7 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.6 -40.86 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.552 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.44 -34.48 93.01 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.478 1.452 . . . . 0.0 112.235 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.513 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -60.34 -42.56 95.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.751 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.96 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.145 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.56 -42.84 86.46 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.314 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.89 -38.75 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.34 -40.33 86.02 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -61.36 -44.34 97.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.03 94.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.785 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.6 88.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.057 0.455 . . . . 0.0 110.773 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.99 -44.39 89.44 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.562 0.696 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -62.89 -39.74 95.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.454 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.21 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -41.19 96.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.205 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -41.17 98.2 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.373 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.96 -40.96 99.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.715 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.05 -34.93 89.37 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.596 1.53 . . . . 0.0 112.263 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.13 -40.43 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.361 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.77 -41.44 95.49 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.88 -42.11 93.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.862 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.003 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -67.03 -41.32 86.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.53 -37.14 79.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -40.53 88.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.736 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.06 -43.76 98.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.097 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.25 94.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.651 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.5 89.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.688 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.38 -44.16 88.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.484 0.659 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -63.12 -39.78 95.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.382 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.13 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.55 -41.16 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.212 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.7 -41.09 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.728 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.65 -32.43 95.87 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 121.775 1.65 . . . . 0.0 112.14 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.88 -40.79 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.89 -42.01 90.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.11 95.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.907 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.69 93.32 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.219 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.14 -43.48 91.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.369 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 3.2 mm? -66.33 -39.33 89.18 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.343 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.24 -38.43 79.99 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -61.17 -45.98 92.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.144 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -61.54 -45.47 94.04 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.268 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.77 -43.16 80.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.584 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.76 -45.18 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.65 -44.77 92.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.482 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.51 90.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.76 -40.66 97.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.5 -40.49 96.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.758 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.699 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.653 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 -32.9 96.9 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -41.14 89.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.47 -42.07 92.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.32 94.89 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.4 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.081 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.27 -41.02 94.62 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.449 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -70.16 -37.76 75.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.075 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -38.12 80.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.028 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.94 -45.83 93.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.474 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -61.68 -45.48 93.82 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.213 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -68.04 -42.52 80.43 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.009 0.433 . . . . 0.0 110.468 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.28 -44.91 90.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.481 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.81 -44.61 92.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.375 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.51 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.62 -43.32 97.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -40.41 96.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.5 -40.69 97.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.826 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.683 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.708 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.8 -39.52 83.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.7 2.266 . . . . 0.0 112.223 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.7 -43.83 97.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.18 -37.91 84.51 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -59.91 -47.04 87.37 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.782 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.19 93.7 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.428 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.08 -43.74 67.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.11 -41.82 94.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.46 -37.56 87.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.937 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -60.64 -44.05 96.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.83 96.31 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.03 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.344 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -65.28 -45.2 85.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.383 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.7 -41.99 98.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.38 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.46 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.87 -43.34 98.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.296 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.64 -41.04 93.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.13 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.46 0.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.1 -39.93 78.46 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.677 2.251 . . . . 0.0 112.14 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.84 -45.06 95.46 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.359 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.4 -38.22 87.0 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.13 -47.71 84.27 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.63 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.7 91.41 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.468 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.87 -42.1 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.65 -41.6 87.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.443 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -62.89 -38.07 89.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.17 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.41 -44.18 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.164 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.08 95.19 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.13 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.17 83.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.004 0.431 . . . . 0.0 110.275 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -65.57 -45.19 84.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.239 0.542 . . . . 0.0 110.346 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.74 -42.23 97.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.423 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.53 84.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.5 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.76 -41.27 92.29 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.116 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.86 -41.42 99.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.739 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -53.89 -39.98 82.39 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.748 2.299 . . . . 0.0 111.938 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -40.22 94.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.84 -41.34 95.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -45.02 95.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.646 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.21 94.24 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.716 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.28 -43.57 90.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.222 0.534 . . . . 0.0 110.591 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.15 -40.02 95.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -36.52 79.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -59.23 -45.3 91.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.82 98.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.495 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.97 94.27 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.422 . . . . 0.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -63.96 -44.3 93.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -63.52 -40.83 98.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.79 88.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.173 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.38 -39.43 93.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.449 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.88 -40.97 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.742 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.88 -40.88 74.08 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.763 2.309 . . . . 0.0 111.93 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.53 -40.71 96.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.631 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.95 -41.49 97.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -45.27 95.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.663 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.16 93.72 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -65.36 -42.59 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.625 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.82 -39.5 90.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -37.65 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.177 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.0 m -57.71 -45.2 86.07 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.85 98.06 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.525 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.82 94.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.98 0.419 . . . . 0.0 110.773 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.04 -44.44 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.106 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -63.57 -40.82 97.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.265 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.16 86.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.05 -41.37 99.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.55 -39.5 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.63 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.625 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 179.219 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.24 -33.0 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.517 1.478 . . . . 0.0 111.934 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.85 -40.92 83.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -67.23 -40.97 86.42 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.19 -43.94 95.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.103 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.41 93.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.053 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.1 -41.74 90.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.193 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.79 -39.37 93.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.12 -42.45 85.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 109.705 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -61.42 -44.82 96.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.114 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.84 95.8 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.813 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.06 88.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.234 0.54 . . . . 0.0 110.508 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' OE2' ' OE1' ' A' ' 17' ' ' GLU . 15.7 tm-20 -65.56 -44.66 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.02 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.36 -39.86 94.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.222 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.23 86.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.73 -42.57 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -62.11 -40.28 95.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.4 -40.85 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.733 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.67 -33.41 98.25 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.614 1.543 . . . . 0.0 112.097 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.96 -40.61 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -67.71 -41.26 83.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.78 -44.49 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.934 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.92 91.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.164 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.95 -40.67 87.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.44 -38.47 87.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -43.25 85.49 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.38 -44.55 96.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.436 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.66 96.42 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.537 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.56 89.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.072 0.463 . . . . 0.0 110.52 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' OE2' ' OE1' ' B' ' 17' ' ' GLU . 15.9 tm-20 -65.45 -44.73 86.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.45 -39.84 94.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.222 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.96 85.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.735 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.45 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.6 mt-10 -62.13 -40.4 95.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.6 mt -63.17 -40.98 99.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.889 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.575 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.73 -28.47 86.55 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.043 1.829 . . . . 0.0 112.051 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.91 -40.26 91.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.35 -38.93 91.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.497 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -48.27 81.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.089 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.19 -39.75 95.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.74 -18.81 39.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.51 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.7 t -62.97 -46.13 89.17 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.43 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -64.12 -38.85 92.56 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.266 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.41 82.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.073 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.94 -42.49 85.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.168 0.508 . . . . 0.0 110.741 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -41.11 98.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.278 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.32 91.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.277 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.38 -41.27 98.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.304 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.11 -39.75 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.94 -40.77 98.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.789 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.55 -28.69 87.09 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.05 1.833 . . . . 0.0 112.099 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.2 -40.55 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 110.06 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.67 -39.12 93.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.745 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -58.83 -49.43 77.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.683 179.317 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' B' ' 5' ' ' ARG . . . -61.15 -41.63 97.1 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.754 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.71 -38.44 91.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.97 -16.75 39.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -64.11 -46.18 85.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.451 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -64.57 -38.35 90.69 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.239 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.28 94.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.29 81.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.908 0.385 . . . . 0.0 111.067 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.41 -42.0 83.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.634 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -41.03 98.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.385 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.29 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.957 0.408 . . . . 0.0 110.223 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.21 -41.19 98.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.268 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -39.75 93.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.14 -40.69 98.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -38.05 82.94 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.617 2.212 . . . . 0.0 111.83 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.85 -42.72 99.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.222 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.23 -39.11 89.32 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.194 0.521 . . . . 0.0 109.988 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.93 -46.48 84.95 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.335 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.94 87.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 0.0 110.563 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.52 -41.69 84.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.882 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.2 mt -65.81 -39.17 90.64 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.514 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 -37.93 81.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.931 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.52 -43.45 93.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.275 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.36 77.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.7 -44.15 91.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.476 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.21 -43.09 99.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.9 88.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.479 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.75 -43.91 97.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -63.98 -39.8 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.86 -41.32 99.33 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.32 -37.74 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.627 2.218 . . . . 0.0 111.923 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.61 -43.6 98.41 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.218 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.38 -39.65 92.54 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.078 0.466 . . . . 0.0 110.125 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.3 -47.08 82.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.108 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.85 89.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.444 . . . . 0.0 110.237 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -69.07 -39.82 78.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.725 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.1 -39.14 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -36.95 78.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.214 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.2 m -59.5 -42.49 92.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.58 93.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.37 82.21 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.84 -44.38 89.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.645 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.48 -43.02 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.517 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.72 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.452 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.93 -43.48 98.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.92 -40.45 96.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.62 -41.16 98.84 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.846 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.464 0.238 0 CA-C-O 120.84 0.353 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.61 -38.96 90.73 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.706 2.27 . . . . 0.0 111.9 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.19 -40.72 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -65.74 -41.19 92.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.71 -44.52 96.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.486 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.26 93.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.508 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.04 -44.04 93.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.441 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.66 -39.15 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.411 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.28 -40.17 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.078 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.82 -45.85 92.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.672 -0.411 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.3 94.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.968 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.86 87.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.29 -45.24 85.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.619 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.57 -41.88 92.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.367 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.89 92.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.91 -40.0 93.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.503 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.38 -40.84 98.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.885 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.882 0.372 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -39.65 84.95 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.002 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.57 -40.85 98.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.36 -41.37 93.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.96 -44.23 97.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.547 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.69 93.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.364 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -63.93 -43.34 96.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.415 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.86 -38.52 89.06 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.46 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.04 -40.24 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.097 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.84 -46.14 90.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.26 94.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.947 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.46 88.69 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.047 0.451 . . . . 0.0 110.52 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.43 -45.31 84.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.41 -41.83 93.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.446 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.222 0.534 . . . . 0.0 110.56 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -62.8 -41.4 99.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.0 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.67 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -41.97 73.35 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.553 2.168 . . . . 0.0 112.243 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.06 -38.97 86.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.73 -40.57 95.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.9 -44.91 93.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.801 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.972 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.25 -42.14 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.212 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.69 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -58.8 -41.31 86.44 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.922 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -62.2 -47.13 85.83 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.108 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.81 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.771 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.97 -42.35 81.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 13.0 tm-20 -64.4 -45.88 85.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.1 -40.81 95.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.334 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.435 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.57 -43.09 99.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.776 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -63.12 -40.21 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.22 -41.14 99.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.19 -42.74 65.79 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.563 2.175 . . . . 0.0 112.066 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.14 -39.52 89.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.75 -40.44 92.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.01 -45.1 93.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.794 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.8 92.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.852 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.77 -41.32 95.96 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.138 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.01 -38.34 88.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.65 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -58.1 -41.77 84.24 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.047 -179.581 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.78 -47.71 83.92 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.38 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.74 82.97 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.704 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.38 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' B' ' 9' ' ' CYS . 13.4 tm-20 -64.11 -45.75 87.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.13 -40.72 94.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.318 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.0 86.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.271 0.558 . . . . 0.0 110.302 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.815 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.5 mt-10 -63.82 -40.11 95.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.93 -38.11 86.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.614 2.21 . . . . 0.0 111.955 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.22 -43.53 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 8' ' ' LEU . 98.1 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.31 0.576 . . . . 0.0 109.824 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.8 -44.14 94.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.462 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.6 85.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.508 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -68.44 -42.86 78.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.246 -0.581 . . . . 0.0 111.036 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 4' ' ' GLU . 9.5 mp -65.55 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -59.83 -40.5 88.71 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -61.3 -42.52 98.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.702 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.86 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.94 93.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.56 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.38 -44.15 88.5 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 110.455 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.17 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.75 85.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.224 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.86 -40.62 96.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.151 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.0 -40.62 98.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 18' ' ' LEU . 96.3 mt -63.79 -40.5 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.09 -38.5 80.69 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.794 2.329 . . . . 0.0 112.031 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.45 -43.69 98.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.413 ' O ' HD13 ' B' ' 8' ' ' LEU . 98.0 mt-10 -65.73 -40.86 92.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.968 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.64 -43.53 93.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.569 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.54 86.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.386 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.62 -40.58 76.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.829 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 4' ' ' GLU . 8.2 mp -68.53 -38.03 80.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.054 0.454 . . . . 0.0 110.502 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 29.2 t -59.55 -40.83 88.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.776 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.4 m -61.59 -40.84 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.886 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.1 94.2 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.95 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.81 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.98 0.419 . . . . 0.0 110.457 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -65.39 -43.89 89.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.418 0.628 . . . . 0.0 110.416 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -39.11 92.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.219 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.09 84.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.46 -40.65 97.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.977 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.29 -40.85 98.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.381 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.87 -40.68 97.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.32 -34.28 97.78 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.394 2.062 . . . . 0.0 111.997 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.33 -42.93 87.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.189 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 -40.04 85.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -42.35 99.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.16 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.96 86.91 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.902 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -65.03 -44.65 88.42 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.557 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.22 -38.79 88.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.07 -41.26 87.56 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.526 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.111 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.63 94.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.55 88.68 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.988 0.423 . . . . 0.0 110.33 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.12 -45.39 85.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.672 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.603 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.51 92.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.13 -42.05 97.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.572 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.8 -39.87 95.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.67 -40.82 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -35.13 99.08 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.542 2.162 . . . . 0.0 112.088 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.39 -42.88 92.16 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.162 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.68 -39.82 84.44 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -41.66 99.47 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.51 82.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.831 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -64.58 -42.83 95.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.395 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -60.14 -41.09 91.96 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.821 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.8 m -61.6 -41.76 97.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.122 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.8 95.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.164 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.79 90.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.046 0.451 . . . . 0.0 110.263 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.71 -45.19 83.7 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.42 -42.86 95.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.416 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.21 92.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.265 0.555 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.52 -40.2 96.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.39 -41.03 98.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.28 -34.0 98.19 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 121.799 1.666 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.97 -41.21 87.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.242 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.14 -42.17 89.46 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -43.72 98.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.734 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.64 90.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.638 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.01 -42.31 89.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.247 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.91 -39.2 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.833 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -42.37 82.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -61.93 -44.84 95.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.849 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.44 94.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.03 84.78 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.063 0.459 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -65.59 -44.48 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -65.26 -41.0 94.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.39 91.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.291 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.132 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.18 -40.52 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.63 -40.96 98.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -34.57 98.93 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.858 1.705 . . . . 0.0 112.126 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.7 -40.88 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.2 -42.26 89.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -43.13 99.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.72 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.81 89.74 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.523 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.62 -41.25 88.66 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.331 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.68 -37.32 82.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.845 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.81 -41.91 87.93 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -62.14 -44.57 96.33 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.91 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.36 94.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.787 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.8 85.38 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.06 0.457 . . . . 0.0 110.567 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.83 -44.38 85.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.736 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -65.24 -41.02 94.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.15 90.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.295 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.95 -41.52 99.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.014 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.24 -40.51 96.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.65 -40.89 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.11 -39.01 87.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.652 2.235 . . . . 0.0 111.871 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.68 -41.26 96.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.253 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.51 -41.0 96.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.89 -45.48 93.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 178.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.33 96.28 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.674 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' THR . 15.8 tm0? -63.66 -39.14 93.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.1 -23.55 41.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.443 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ARG . 30.3 t -61.17 -46.3 91.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 7' ' ' GLN . 5.2 t -61.62 -37.85 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.185 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.8 96.56 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.65 74.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.193 0.52 . . . . 0.0 110.992 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.07 -42.33 89.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.6 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.17 -40.26 95.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.301 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.81 91.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -62.27 -40.16 95.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.08 -38.73 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.25 -41.17 98.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.822 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.899 0.38 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.22 -38.99 82.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.672 2.248 . . . . 0.0 111.811 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.0 -41.19 97.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.215 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.67 -40.93 96.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.41 93.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.09 95.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -64.46 -37.18 86.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.14 -21.84 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.24 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.67 -47.91 83.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.689 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' B' ' 11' ' ' ALA . 5.0 t -59.4 -38.39 80.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' B' ' 10' ' ' THR . . . -60.98 -44.93 96.66 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.296 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.47 -45.85 74.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.287 0.565 . . . . 0.0 110.958 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.07 -41.93 90.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.43 -40.22 95.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.35 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.41 90.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.66 -40.32 96.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.235 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.25 -38.83 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.29 -40.89 97.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.72 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.438 ' OG ' ' HB1' ' B' ' 15' ' ' ALA . 88.0 p . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -59.93 -34.31 95.28 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.991 1.794 . . . . 0.0 112.169 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.66 -40.4 84.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.228 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.29 -41.58 89.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.67 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.459 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.49 91.92 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.942 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -65.08 -43.5 91.95 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.16 -38.6 91.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -59.96 -39.3 85.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.52 -45.95 92.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.34 94.48 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.146 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.81 87.65 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.148 0.499 . . . . 0.0 110.674 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.71 -45.13 87.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.03 -44.09 93.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.691 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.97 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.761 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.75 -41.66 97.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.608 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -63.14 -40.02 96.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 18' ' ' LEU . 95.9 mt -62.4 -41.12 98.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.98 -35.67 92.46 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.046 1.831 . . . . 0.0 112.09 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.41 -40.56 89.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.234 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.7 -41.89 87.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.81 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -42.81 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.441 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.78 92.68 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.696 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.11 -42.46 93.93 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.438 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.68 -36.9 83.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.856 0.36 . . . . 0.0 110.369 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -60.18 -39.74 87.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.86 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.092 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.255 0.55 . . . . 0.0 110.559 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.36 -44.84 86.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.92 -43.93 94.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.68 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.438 ' HB1' ' OG ' ' A' ' 1' ' ' SER . . . -62.39 -39.08 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.87 -41.77 98.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.93 -39.99 96.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.4 -40.81 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.525 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.75 -37.15 91.96 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.861 2.374 . . . . 0.0 111.803 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.88 -40.44 91.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.49 -39.05 92.2 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.313 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -58.38 -46.0 87.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.65 93.19 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.531 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.1 -40.12 90.5 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 37.8 m -62.35 -39.13 92.11 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.733 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -60.27 -44.73 95.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.81 95.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.764 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.68 89.73 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.608 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.21 -45.02 86.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -64.6 -39.45 93.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.217 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.279 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.15 -41.08 97.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.85 -40.68 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.63 -37.7 83.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.907 2.405 . . . . 0.0 112.009 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.49 -40.7 93.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.01 -39.4 92.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.434 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.614 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -57.97 -46.42 85.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 179.169 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.234 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.58 -39.25 73.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.051 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.04 -38.69 79.28 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.314 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.614 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 57.8 m -62.17 -39.75 93.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.713 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.55 -44.54 93.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.91 96.39 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.793 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.32 89.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.074 0.464 . . . . 0.0 110.536 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.71 -44.86 84.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -64.58 -39.39 93.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.049 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.25 89.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.261 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.01 -41.09 97.7 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.0 -40.92 97.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 18' ' ' LEU . 94.6 mt -63.64 -40.67 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.16 -34.94 98.62 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.345 2.03 . . . . 0.0 111.957 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.37 -42.02 88.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.19 -39.95 86.43 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -43.26 97.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.229 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.51 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.528 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.78 -42.13 91.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.31 -39.32 92.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.72 -41.16 81.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -62.03 -44.39 96.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.963 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.1 95.99 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.103 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.08 85.32 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.032 0.444 . . . . 0.0 110.294 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.92 -44.37 89.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.545 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.6 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.64 90.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.81 -43.55 98.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.358 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.21 -40.84 96.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.57 -41.04 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.61 -35.65 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.484 2.123 . . . . 0.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.93 -41.7 91.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.89 -39.76 83.62 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -42.71 97.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.91 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.11 -41.1 91.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.57 -38.83 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.37 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.3 t -58.19 -40.59 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -62.51 -44.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.32 95.01 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.016 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.59 87.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.305 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -65.28 -44.39 88.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.551 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -42.34 97.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.613 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.37 89.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.408 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.23 -40.95 97.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.37 -40.8 97.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.743 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.55 -37.81 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.715 2.276 . . . . 0.0 111.914 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.308 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.03 -38.93 92.51 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.164 0.507 . . . . 0.0 110.014 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.51 88.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.357 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.39 90.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.545 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 98.9 mm-40 -68.88 -41.88 77.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.145 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.62 -38.23 88.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.711 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -57.72 -43.68 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.144 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 7' ' ' GLN . 3.9 p -63.2 -35.86 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.636 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.23 98.73 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.39 -49.08 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.116 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.14 -44.11 89.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.88 -41.25 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.23 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.86 -40.48 97.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.53 -40.07 96.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.881 0.372 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.32 -37.58 81.25 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.717 2.278 . . . . 0.0 111.984 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.23 -42.24 99.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.29 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.44 -39.42 93.8 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -46.92 87.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.228 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.7 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 110.325 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.51 -39.79 73.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.021 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.05 -36.56 80.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -58.1 -44.83 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -61.43 -36.43 80.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.64 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.461 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.84 -48.47 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -62.98 -41.06 99.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.248 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.89 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.27 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.689 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.93 -32.27 94.88 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.114 1.876 . . . . 0.0 112.294 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.43 -42.2 88.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.841 0.353 . . . . 0.0 110.198 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.7 -39.48 84.4 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -46.41 86.38 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.58 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.89 92.22 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.767 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -69.85 -41.23 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.993 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.16 -39.79 93.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.66 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -61.18 -40.09 92.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.584 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -61.55 -42.83 99.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.846 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.57 91.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.214 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.31 89.56 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.594 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -65.01 -45.25 86.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.381 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -65.8 -38.05 87.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -36.35 75.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.64 -40.39 91.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.78 -41.26 95.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.444 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.87 -40.48 97.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.36 -31.72 95.41 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.189 1.926 . . . . 0.0 111.984 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.65 -42.35 86.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.183 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.68 -40.06 84.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.94 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -46.41 84.65 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.406 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.1 90.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.521 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -70.73 -39.94 73.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.21 -39.17 89.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 110.559 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -61.61 -39.84 92.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.054 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -61.82 -41.98 98.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.59 93.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.19 90.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.449 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -65.03 -45.37 85.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.78 -38.31 88.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.855 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.93 74.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.37 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.8 -40.88 94.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.386 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.64 -41.3 96.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.0 mt -62.89 -40.84 98.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.769 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.71 -39.22 90.27 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.792 2.328 . . . . 0.0 111.879 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.52 -41.18 96.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.06 -39.91 86.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.374 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.619 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -59.82 -45.85 91.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.762 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.431 ' HA ' HH21 ' A' ' 5' ' ' ARG . . . -61.52 -44.89 96.25 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.64 -42.4 86.76 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.286 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 6.6 mp -66.6 -38.98 88.12 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.554 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.619 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 m -59.48 -39.61 84.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.13 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 m -61.42 -46.05 91.74 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.799 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.49 93.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.243 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.91 -45.09 75.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.57 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.03 -45.43 85.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -64.96 -44.34 89.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.5 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.608 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -60.51 -42.76 97.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.316 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.28 -41.36 99.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.156 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.75 -40.77 98.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.71 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.37 -39.58 86.68 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.807 2.338 . . . . 0.0 111.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.82 -41.27 97.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.14 -39.83 86.62 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -59.83 -46.62 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.718 178.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HA ' HH21 ' B' ' 5' ' ' ARG . . . -60.89 -44.84 96.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.43 -39.62 85.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.308 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 6.3 mp -70.83 -37.94 73.2 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.137 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 1.2 m -58.75 -39.82 82.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.051 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.9 m -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.06 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.9 91.03 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -67.54 -44.77 77.52 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.15 0.5 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.2 -45.24 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.34 -44.12 88.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.465 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.69 88.27 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.497 0.665 . . . . 0.0 110.76 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.22 -42.95 99.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.148 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.55 -41.33 98.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.54 -40.94 98.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.532 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.468 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.232 0.135 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.02 -40.57 80.73 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.716 2.277 . . . . 0.0 111.935 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -66.86 -40.47 87.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.75 -39.79 92.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -44.85 92.81 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.675 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.91 91.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.751 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.75 -43.04 94.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.439 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.16 -38.88 89.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.8 -40.86 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.99 -45.07 95.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.77 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.88 96.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.838 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.26 88.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.096 0.474 . . . . 0.0 110.496 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.05 -44.89 83.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.2 -39.77 93.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.307 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.28 88.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.263 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.12 -41.11 99.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.18 -39.36 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.6 -41.04 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.73 -41.88 66.61 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.697 2.265 . . . . 0.0 112.125 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -66.21 -41.28 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.91 -39.91 91.14 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -45.48 91.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.649 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.94 89.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.47 -41.79 96.28 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.415 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.43 -38.61 81.36 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.672 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.664 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.62 -44.92 96.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.974 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.61 96.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.756 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.07 90.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.524 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.17 -44.91 82.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.12 -39.73 93.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.435 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.92 88.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.61 -41.38 98.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.059 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.7 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.6 -40.86 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.552 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.44 -34.48 93.01 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.478 1.452 . . . . 0.0 112.235 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.513 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -60.34 -42.56 95.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.751 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.96 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.145 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.56 -42.84 86.46 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.314 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.89 -38.75 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.34 -40.33 86.02 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -61.36 -44.34 97.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.03 94.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.785 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.6 88.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.057 0.455 . . . . 0.0 110.773 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.99 -44.39 89.44 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.562 0.696 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -62.89 -39.74 95.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.454 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.21 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -41.19 96.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.205 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -41.17 98.2 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.373 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.96 -40.96 99.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.715 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.05 -34.93 89.37 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.596 1.53 . . . . 0.0 112.263 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.13 -40.43 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.361 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.77 -41.44 95.49 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.88 -42.11 93.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.862 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.003 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -67.03 -41.32 86.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.53 -37.14 79.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -40.53 88.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.736 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.06 -43.76 98.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.097 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.25 94.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.651 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.5 89.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.688 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.38 -44.16 88.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.484 0.659 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -63.12 -39.78 95.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.382 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.13 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.55 -41.16 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.212 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.7 -41.09 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.728 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.65 -32.43 95.87 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 121.775 1.65 . . . . 0.0 112.14 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.88 -40.79 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.89 -42.01 90.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.11 95.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.907 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.69 93.32 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.219 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.14 -43.48 91.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.369 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 3.2 mm? -66.33 -39.33 89.18 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.343 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.24 -38.43 79.99 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -61.17 -45.98 92.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.144 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -61.54 -45.47 94.04 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.268 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.77 -43.16 80.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.584 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.76 -45.18 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.65 -44.77 92.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.482 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.51 90.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.76 -40.66 97.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.5 -40.49 96.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.758 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.699 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.653 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 -32.9 96.9 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -41.14 89.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.47 -42.07 92.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.32 94.89 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.4 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.081 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.27 -41.02 94.62 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.449 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -70.16 -37.76 75.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.075 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -38.12 80.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.028 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.94 -45.83 93.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.474 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -61.68 -45.48 93.82 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.213 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -68.04 -42.52 80.43 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.009 0.433 . . . . 0.0 110.468 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.28 -44.91 90.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.481 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.81 -44.61 92.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.375 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.51 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.62 -43.32 97.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -40.41 96.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.5 -40.69 97.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.826 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.683 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.708 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.8 -39.52 83.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.7 2.266 . . . . 0.0 112.223 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.7 -43.83 97.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.18 -37.91 84.51 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -59.91 -47.04 87.37 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.782 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.19 93.7 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.428 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.08 -43.74 67.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.11 -41.82 94.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.46 -37.56 87.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.937 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -60.64 -44.05 96.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.83 96.31 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.03 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.344 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -65.28 -45.2 85.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.383 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.7 -41.99 98.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.38 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.46 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.87 -43.34 98.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.296 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.64 -41.04 93.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.13 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.46 0.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.1 -39.93 78.46 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.677 2.251 . . . . 0.0 112.14 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.84 -45.06 95.46 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.359 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.4 -38.22 87.0 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.13 -47.71 84.27 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.63 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.7 91.41 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.468 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.87 -42.1 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.65 -41.6 87.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.443 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -62.89 -38.07 89.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.17 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.41 -44.18 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.164 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.08 95.19 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.13 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.17 83.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.004 0.431 . . . . 0.0 110.275 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -65.57 -45.19 84.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.239 0.542 . . . . 0.0 110.346 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.74 -42.23 97.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.423 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.53 84.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.5 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.76 -41.27 92.29 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.116 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.86 -41.42 99.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.739 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -53.89 -39.98 82.39 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.748 2.299 . . . . 0.0 111.938 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -40.22 94.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.84 -41.34 95.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -45.02 95.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.646 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.21 94.24 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.716 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.28 -43.57 90.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.222 0.534 . . . . 0.0 110.591 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.15 -40.02 95.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -36.52 79.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -59.23 -45.3 91.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.82 98.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.495 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.97 94.27 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.422 . . . . 0.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -63.96 -44.3 93.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -63.52 -40.83 98.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.79 88.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.173 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.38 -39.43 93.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.449 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.88 -40.97 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.742 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.88 -40.88 74.08 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.763 2.309 . . . . 0.0 111.93 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.53 -40.71 96.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.631 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.95 -41.49 97.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -45.27 95.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.663 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.16 93.72 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -65.36 -42.59 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.625 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.82 -39.5 90.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -37.65 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.177 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.0 m -57.71 -45.2 86.07 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.85 98.06 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.525 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.82 94.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.98 0.419 . . . . 0.0 110.773 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.04 -44.44 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.106 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -63.57 -40.82 97.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.265 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.16 86.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.05 -41.37 99.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.55 -39.5 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.63 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.625 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 179.219 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.24 -33.0 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.517 1.478 . . . . 0.0 111.934 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.85 -40.92 83.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -67.23 -40.97 86.42 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.19 -43.94 95.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.103 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.41 93.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.053 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.1 -41.74 90.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.193 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.79 -39.37 93.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.12 -42.45 85.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 109.705 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -61.42 -44.82 96.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.114 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.84 95.8 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.813 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.06 88.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.234 0.54 . . . . 0.0 110.508 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' OE2' ' OE1' ' A' ' 17' ' ' GLU . 15.7 tm-20 -65.56 -44.66 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.02 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.36 -39.86 94.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.222 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.23 86.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.73 -42.57 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -62.11 -40.28 95.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.4 -40.85 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.733 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.67 -33.41 98.25 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.614 1.543 . . . . 0.0 112.097 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.96 -40.61 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -67.71 -41.26 83.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.78 -44.49 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.934 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.92 91.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.164 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.95 -40.67 87.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.44 -38.47 87.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -43.25 85.49 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.38 -44.55 96.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.436 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.66 96.42 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.537 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.56 89.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.072 0.463 . . . . 0.0 110.52 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' OE2' ' OE1' ' B' ' 17' ' ' GLU . 15.9 tm-20 -65.45 -44.73 86.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.45 -39.84 94.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.222 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.96 85.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.735 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.45 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.6 mt-10 -62.13 -40.4 95.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.6 mt -63.17 -40.98 99.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.889 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.73 -28.47 86.55 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.043 1.829 . . . . 0.0 112.051 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.91 -40.26 91.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.35 -38.93 91.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.497 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -48.27 81.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.089 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.19 -39.75 95.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.74 -18.81 39.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.51 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.7 t -62.97 -46.13 89.17 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.43 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -64.12 -38.85 92.56 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.266 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.41 82.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.073 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.94 -42.49 85.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.168 0.508 . . . . 0.0 110.741 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -41.11 98.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.278 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.32 91.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.277 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.38 -41.27 98.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.304 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.11 -39.75 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.94 -40.77 98.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.789 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.55 -28.69 87.09 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.05 1.833 . . . . 0.0 112.099 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.2 -40.55 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 110.06 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.67 -39.12 93.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.745 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -58.83 -49.43 77.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.683 179.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' B' ' 5' ' ' ARG . . . -61.15 -41.63 97.1 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.754 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.71 -38.44 91.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.97 -16.75 39.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -64.11 -46.18 85.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.451 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -64.57 -38.35 90.69 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.239 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.28 94.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.29 81.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.908 0.385 . . . . 0.0 111.067 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.41 -42.0 83.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.634 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -41.03 98.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.385 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.29 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.957 0.408 . . . . 0.0 110.223 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.21 -41.19 98.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.268 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -39.75 93.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.14 -40.69 98.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -38.05 82.94 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.617 2.212 . . . . 0.0 111.83 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.85 -42.72 99.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.222 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.23 -39.11 89.32 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.194 0.521 . . . . 0.0 109.988 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.93 -46.48 84.95 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.335 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.94 87.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 0.0 110.563 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.52 -41.69 84.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.882 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.2 mt -65.81 -39.17 90.64 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.514 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 -37.93 81.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.931 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.52 -43.45 93.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.275 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.36 77.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.7 -44.15 91.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.476 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.21 -43.09 99.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.9 88.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.479 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.75 -43.91 97.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -63.98 -39.8 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.86 -41.32 99.33 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.32 -37.74 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.627 2.218 . . . . 0.0 111.923 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.61 -43.6 98.41 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.218 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.38 -39.65 92.54 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.078 0.466 . . . . 0.0 110.125 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.3 -47.08 82.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.108 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.85 89.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.444 . . . . 0.0 110.237 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -69.07 -39.82 78.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.725 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.1 -39.14 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -36.95 78.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.214 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.2 m -59.5 -42.49 92.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.58 93.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.37 82.21 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.84 -44.38 89.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.645 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.48 -43.02 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.517 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.72 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.452 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.93 -43.48 98.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.92 -40.45 96.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.62 -41.16 98.84 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.464 0.238 0 CA-C-O 120.84 0.353 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.61 -38.96 90.73 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.706 2.27 . . . . 0.0 111.9 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.19 -40.72 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -65.74 -41.19 92.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.71 -44.52 96.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.486 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.26 93.84 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.508 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.04 -44.04 93.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.441 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.66 -39.15 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.411 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.28 -40.17 81.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.078 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.82 -45.85 92.06 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.672 -0.411 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.3 94.03 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.968 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.86 87.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.29 -45.24 85.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.619 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.57 -41.88 92.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.367 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.89 92.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.91 -40.0 93.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.503 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.38 -40.84 98.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.885 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.8 p . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.882 0.372 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -39.65 84.95 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.002 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.57 -40.85 98.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.538 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.36 -41.37 93.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -60.96 -44.23 97.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.547 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.69 93.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.364 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -63.93 -43.34 96.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.415 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.86 -38.52 89.06 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.46 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.04 -40.24 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.097 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.84 -46.14 90.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.26 94.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.947 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.46 88.69 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.047 0.451 . . . . 0.0 110.52 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -65.43 -45.31 84.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.41 -41.83 93.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.446 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.222 0.534 . . . . 0.0 110.56 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -62.8 -41.4 99.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.0 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.67 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -41.97 73.35 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.553 2.168 . . . . 0.0 112.243 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.06 -38.97 86.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.73 -40.57 95.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.9 -44.91 93.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.801 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.972 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.25 -42.14 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.212 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.69 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -58.8 -41.31 86.44 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.922 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.1 m -62.2 -47.13 85.83 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.108 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.81 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.771 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.97 -42.35 81.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 13.0 tm-20 -64.4 -45.88 85.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.669 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.1 -40.81 95.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.334 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.66 88.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.435 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.57 -43.09 99.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.776 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -63.12 -40.21 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.22 -41.14 99.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.773 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.19 -42.74 65.79 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.563 2.175 . . . . 0.0 112.066 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.14 -39.52 89.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.75 -40.44 92.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.01 -45.1 93.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.794 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.8 92.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.852 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.77 -41.32 95.96 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.138 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.01 -38.34 88.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.65 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' B' ' 13' ' ' GLU . 0.1 OUTLIER -58.1 -41.77 84.24 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.047 -179.581 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.78 -47.71 83.92 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.38 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.74 82.97 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.704 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.38 79.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' B' ' 9' ' ' CYS . 13.4 tm-20 -64.11 -45.75 87.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.13 -40.72 94.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.318 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.0 86.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.271 0.558 . . . . 0.0 110.302 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.815 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.5 mt-10 -63.82 -40.11 95.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 179.705 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . 0.401 ' CE1' ' HA ' ' A' ' 9' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.93 -38.11 86.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.614 2.21 . . . . 0.0 111.955 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.22 -43.53 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 8' ' ' LEU . 98.1 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.31 0.576 . . . . 0.0 109.824 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.8 -44.14 94.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.462 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.6 85.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.508 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -68.44 -42.86 78.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.246 -0.581 . . . . 0.0 111.036 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 4' ' ' GLU . 9.5 mp -65.55 -39.03 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.813 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.4 t -59.83 -40.5 88.71 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -61.3 -42.52 98.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.702 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.86 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.94 93.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.56 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.38 -44.15 88.5 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 110.455 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.26 -39.19 92.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.17 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.75 85.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.224 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.86 -40.62 96.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.151 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.0 -40.62 98.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 18' ' ' LEU . 96.3 mt -63.79 -40.5 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.83 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.09 -38.5 80.69 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.794 2.329 . . . . 0.0 112.031 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.45 -43.69 98.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.416 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' O ' HD13 ' B' ' 8' ' ' LEU . 98.0 mt-10 -65.73 -40.86 92.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.968 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.64 -43.53 93.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.569 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.54 86.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.386 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.62 -40.58 76.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.829 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.413 HD13 ' O ' ' B' ' 4' ' ' GLU . 8.2 mp -68.53 -38.03 80.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.054 0.454 . . . . 0.0 110.502 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 29.2 t -59.55 -40.83 88.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.776 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.4 m -61.59 -40.84 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.886 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.1 94.2 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.95 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.81 92.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.98 0.419 . . . . 0.0 110.457 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -65.39 -43.89 89.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.418 0.628 . . . . 0.0 110.416 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -39.11 92.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.219 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.09 84.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.46 -40.65 97.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.977 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.29 -40.85 98.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.381 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.87 -40.68 97.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.32 -34.28 97.78 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.394 2.062 . . . . 0.0 111.997 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.33 -42.93 87.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.189 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.38 -40.04 85.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -42.35 99.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.16 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.96 86.91 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.902 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -65.03 -44.65 88.42 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.557 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.22 -38.79 88.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.07 -41.26 87.56 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.526 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.111 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.63 94.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.55 88.68 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.988 0.423 . . . . 0.0 110.33 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.12 -45.39 85.28 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.672 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.603 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.51 92.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.13 -42.05 97.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.572 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.8 -39.87 95.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.67 -40.82 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.69 -35.13 99.08 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.542 2.162 . . . . 0.0 112.088 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.39 -42.88 92.16 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.162 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.68 -39.82 84.44 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -41.66 99.47 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.51 82.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.831 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -64.58 -42.83 95.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.395 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.562 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -60.14 -41.09 91.96 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.821 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.8 m -61.6 -41.76 97.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.122 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.8 95.37 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.164 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.79 90.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.046 0.451 . . . . 0.0 110.263 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.71 -45.19 83.7 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.42 -42.86 95.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.416 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.21 92.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.265 0.555 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.52 -40.2 96.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.39 -41.03 98.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.28 -34.0 98.19 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 121.799 1.666 . . . . 0.0 112.073 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.97 -41.21 87.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.242 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.14 -42.17 89.46 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -43.72 98.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.734 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.64 90.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.638 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.01 -42.31 89.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.247 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.91 -39.2 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.833 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -42.37 82.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -61.93 -44.84 95.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.849 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.44 94.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.03 84.78 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.063 0.459 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -65.59 -44.48 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -65.26 -41.0 94.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.39 91.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.291 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.132 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.18 -40.52 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.63 -40.96 98.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -34.57 98.93 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.858 1.705 . . . . 0.0 112.126 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.7 -40.88 88.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.2 -42.26 89.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -43.13 99.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.72 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.81 89.74 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.523 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.62 -41.25 88.66 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.331 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.68 -37.32 82.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.845 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.81 -41.91 87.93 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -62.14 -44.57 96.33 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.91 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.36 94.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.787 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.8 85.38 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.06 0.457 . . . . 0.0 110.567 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.83 -44.38 85.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.736 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -65.24 -41.02 94.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.413 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.15 90.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.295 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.95 -41.52 99.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.014 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.24 -40.51 96.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.65 -40.89 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.11 -39.01 87.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.652 2.235 . . . . 0.0 111.871 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.68 -41.26 96.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.253 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.51 -41.0 96.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.89 -45.48 93.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 178.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.33 96.28 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.674 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' THR . 15.8 tm0? -63.66 -39.14 93.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.1 -23.55 41.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.443 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 5' ' ' ARG . 30.3 t -61.17 -46.3 91.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 7' ' ' GLN . 5.2 t -61.62 -37.85 85.49 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.185 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.8 96.56 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.65 74.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.193 0.52 . . . . 0.0 110.992 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.07 -42.33 89.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.6 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.17 -40.26 95.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.301 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.81 91.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -62.27 -40.16 95.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.08 -38.73 89.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.25 -41.17 98.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.822 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.899 0.38 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.22 -38.99 82.07 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.672 2.248 . . . . 0.0 111.811 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.0 -41.19 97.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.215 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -64.67 -40.93 96.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.41 93.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.09 95.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -64.46 -37.18 86.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.14 -21.84 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.24 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.67 -47.91 83.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.689 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' B' ' 11' ' ' ALA . 5.0 t -59.4 -38.39 80.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.414 ' N ' ' CG2' ' B' ' 10' ' ' THR . . . -60.98 -44.93 96.66 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.296 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.47 -45.85 74.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.287 0.565 . . . . 0.0 110.958 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.07 -41.93 90.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.43 -40.22 95.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.35 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.41 90.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.66 -40.32 96.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.235 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.25 -38.83 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.29 -40.89 97.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.72 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.438 ' OG ' ' HB1' ' B' ' 15' ' ' ALA . 88.0 p . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -59.93 -34.31 95.28 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.991 1.794 . . . . 0.0 112.169 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.66 -40.4 84.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.228 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.29 -41.58 89.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.67 98.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.459 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.49 91.92 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.942 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -65.08 -43.5 91.95 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.16 -38.6 91.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -59.96 -39.3 85.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.6 m -61.52 -45.95 92.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -45.34 94.48 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.146 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.81 87.65 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.148 0.499 . . . . 0.0 110.674 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.71 -45.13 87.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.03 -44.09 93.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.691 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.97 92.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.761 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.75 -41.66 97.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.608 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -63.14 -40.02 96.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 18' ' ' LEU . 95.9 mt -62.4 -41.12 98.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.98 -35.67 92.46 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.046 1.831 . . . . 0.0 112.09 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.41 -40.56 89.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.234 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.7 -41.89 87.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.81 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -42.81 99.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.441 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.78 92.68 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.696 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.11 -42.46 93.93 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.438 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.68 -36.9 83.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.856 0.36 . . . . 0.0 110.369 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -60.18 -39.74 87.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.86 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.092 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.255 0.55 . . . . 0.0 110.559 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.36 -44.84 86.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.92 -43.93 94.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.68 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.438 ' HB1' ' OG ' ' A' ' 1' ' ' SER . . . -62.39 -39.08 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.87 -41.77 98.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.662 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.93 -39.99 96.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.4 -40.81 97.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.525 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.75 -37.15 91.96 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.861 2.374 . . . . 0.0 111.803 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.88 -40.44 91.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.49 -39.05 92.2 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.313 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -58.38 -46.0 87.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.65 93.19 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.531 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.1 -40.12 90.5 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 37.8 m -62.35 -39.13 92.11 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.733 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -60.27 -44.73 95.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.81 95.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.764 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.68 89.73 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.608 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.21 -45.02 86.43 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.744 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -64.6 -39.45 93.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.217 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.279 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.15 -41.08 97.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.85 -40.68 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.63 -37.7 83.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.907 2.405 . . . . 0.0 112.009 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.49 -40.7 93.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.01 -39.4 92.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.434 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.614 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -57.97 -46.42 85.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 179.169 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.234 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.58 -39.25 73.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.051 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.04 -38.69 79.28 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.314 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.614 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 57.8 m -62.17 -39.75 93.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.713 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.55 -44.54 93.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.91 96.39 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.793 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.32 89.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.074 0.464 . . . . 0.0 110.536 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.71 -44.86 84.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -64.58 -39.39 93.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.049 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.25 89.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.261 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.01 -41.09 97.7 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.0 -40.92 97.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 18' ' ' LEU . 94.6 mt -63.64 -40.67 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.16 -34.94 98.62 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.345 2.03 . . . . 0.0 111.957 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.37 -42.02 88.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.19 -39.95 86.43 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -43.26 97.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.229 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.51 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.528 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.78 -42.13 91.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.31 -39.32 92.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -57.72 -41.16 81.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -62.03 -44.39 96.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.963 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.1 95.99 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.103 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.08 85.32 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.032 0.444 . . . . 0.0 110.294 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.92 -44.37 89.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.545 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.6 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.64 90.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -60.81 -43.55 98.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.358 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.21 -40.84 96.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.57 -41.04 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.61 -35.65 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.484 2.123 . . . . 0.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.93 -41.7 91.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.89 -39.76 83.62 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -42.71 97.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.91 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.11 -41.1 91.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.57 -38.83 87.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.37 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.3 t -58.19 -40.59 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -62.51 -44.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.32 95.01 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.016 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.59 87.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.015 0.436 . . . . 0.0 110.305 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -65.28 -44.39 88.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.551 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -63.84 -42.34 97.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.613 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.37 89.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.408 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.23 -40.95 97.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.37 -40.8 97.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.743 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.55 -37.81 83.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.715 2.276 . . . . 0.0 111.914 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.308 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.03 -38.93 92.51 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.164 0.507 . . . . 0.0 110.014 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -46.51 88.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.357 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.39 90.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.545 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.431 ' O ' ' OG1' ' A' ' 10' ' ' THR . 98.9 mm-40 -68.88 -41.88 77.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.145 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.62 -38.23 88.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.711 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.6 t -57.72 -43.68 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.144 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 7' ' ' GLN . 3.9 p -63.2 -35.86 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.636 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.23 98.73 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.39 -49.08 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.116 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.14 -44.11 89.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.492 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.88 -41.25 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.23 93.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.86 -40.48 97.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.53 -40.07 96.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.881 0.372 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.32 -37.58 81.25 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.717 2.278 . . . . 0.0 111.984 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -63.23 -42.24 99.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.29 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.44 -39.42 93.8 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -46.92 87.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.228 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.7 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.96 0.41 . . . . 0.0 110.325 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.51 -39.79 73.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.021 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.05 -36.56 80.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -58.1 -44.83 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -61.43 -36.43 80.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.64 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.461 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.84 -48.47 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -62.98 -41.06 99.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.248 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.89 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.375 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.27 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.689 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.93 -32.27 94.88 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.114 1.876 . . . . 0.0 112.294 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.43 -42.2 88.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.841 0.353 . . . . 0.0 110.198 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.7 -39.48 84.4 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -46.41 86.38 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.58 179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.89 92.22 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.767 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -69.85 -41.23 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.993 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.16 -39.79 93.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.66 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -61.18 -40.09 92.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.584 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.0 m -61.55 -42.83 99.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.846 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.57 91.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.214 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.31 89.56 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.594 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -65.01 -45.25 86.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.381 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -65.8 -38.05 87.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -36.35 75.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.64 -40.39 91.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.78 -41.26 95.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.444 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.87 -40.48 97.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.36 -31.72 95.41 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.189 1.926 . . . . 0.0 111.984 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.65 -42.35 86.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.183 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.68 -40.06 84.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.94 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -46.41 84.65 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.406 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.1 90.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.521 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -70.73 -39.94 73.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.21 -39.17 89.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 110.559 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -61.61 -39.84 92.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.054 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -61.82 -41.98 98.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.59 93.28 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.19 90.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.449 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -65.03 -45.37 85.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.78 -38.31 88.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.855 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.93 74.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.37 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.8 -40.88 94.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.386 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.64 -41.3 96.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.514 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.0 mt -62.89 -40.84 98.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.769 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.71 -39.22 90.27 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.792 2.328 . . . . 0.0 111.879 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.52 -41.18 96.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.06 -39.91 86.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.374 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.619 ' NH2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -59.82 -45.85 91.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.762 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.431 ' HA ' HH21 ' A' ' 5' ' ' ARG . . . -61.52 -44.89 96.25 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.64 -42.4 86.76 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.286 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 6.6 mp -66.6 -38.98 88.12 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.554 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.619 ' SG ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 m -59.48 -39.61 84.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.13 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 m -61.42 -46.05 91.74 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.799 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.49 93.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.243 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.91 -45.09 75.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.57 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.03 -45.43 85.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -64.96 -44.34 89.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.5 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.608 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -60.51 -42.76 97.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.316 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -63.28 -41.36 99.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.156 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.75 -40.77 98.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.71 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.37 -39.58 86.68 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.807 2.338 . . . . 0.0 111.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.82 -41.27 97.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.14 -39.83 86.62 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' B' ' 9' ' ' CYS . 0.0 OUTLIER -59.83 -46.62 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.718 178.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HA ' HH21 ' B' ' 5' ' ' ARG . . . -60.89 -44.84 96.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.43 -39.62 85.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.308 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 6.3 mp -70.83 -37.94 73.2 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.137 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' B' ' 5' ' ' ARG . 1.2 m -58.75 -39.82 82.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.051 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.9 m -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.06 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.9 91.03 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.161 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -67.54 -44.77 77.52 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.15 0.5 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.2 -45.24 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.34 -44.12 88.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.465 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.69 88.27 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.497 0.665 . . . . 0.0 110.76 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.22 -42.95 99.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.148 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.55 -41.33 98.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.54 -40.94 98.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.532 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.468 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.232 0.135 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -54.02 -40.57 80.73 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.716 2.277 . . . . 0.0 111.935 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -66.86 -40.47 87.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.75 -39.79 92.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -44.85 92.81 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.675 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.91 91.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.751 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.75 -43.04 94.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.439 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.16 -38.88 89.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.8 -40.86 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.9 m -61.99 -45.07 95.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.77 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.88 96.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.838 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.26 88.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.096 0.474 . . . . 0.0 110.496 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.05 -44.89 83.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.2 -39.77 93.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.307 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.28 88.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.263 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.12 -41.11 99.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.18 -39.36 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.6 -41.04 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.73 -41.88 66.61 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.697 2.265 . . . . 0.0 112.125 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -66.21 -41.28 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.91 -39.91 91.14 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -45.48 91.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.649 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.94 89.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.47 -41.79 96.28 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.415 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.43 -38.61 81.36 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.672 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.664 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.8 m -61.62 -44.92 96.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.974 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.61 96.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.756 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.07 90.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.524 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.17 -44.91 82.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.12 -39.73 93.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.435 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.92 88.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.61 -41.38 98.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.059 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.7 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.6 -40.86 98.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.552 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.44 -34.48 93.01 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.478 1.452 . . . . 0.0 112.235 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.513 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -60.34 -42.56 95.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.751 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.96 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.145 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -66.56 -42.84 86.46 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.314 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.89 -38.75 89.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.912 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.34 -40.33 86.02 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -61.36 -44.34 97.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.03 94.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.785 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.6 88.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.057 0.455 . . . . 0.0 110.773 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -64.99 -44.39 89.44 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.562 0.696 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -62.89 -39.74 95.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.454 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.21 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -41.19 96.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.205 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.68 -41.17 98.2 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.373 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.96 -40.96 99.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.83 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.715 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.05 -34.93 89.37 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.596 1.53 . . . . 0.0 112.263 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.13 -40.43 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.361 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.77 -41.44 95.49 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.88 -42.11 93.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.862 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.003 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -67.03 -41.32 86.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.53 -37.14 79.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -40.53 88.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.736 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.06 -43.76 98.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.097 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.25 94.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.651 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.5 89.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.688 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -65.38 -44.16 88.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.484 0.659 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -63.12 -39.78 95.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.382 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.13 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.55 -41.16 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.212 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.7 -41.09 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.728 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.65 -32.43 95.87 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 121.775 1.65 . . . . 0.0 112.14 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.88 -40.79 87.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.89 -42.01 90.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.11 95.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.907 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.69 93.32 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.219 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.14 -43.48 91.73 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.369 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 3.2 mm? -66.33 -39.33 89.18 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.343 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.24 -38.43 79.99 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -61.17 -45.98 92.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.144 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -61.54 -45.47 94.04 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.268 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' B' ' 8' ' ' LEU . . . -67.77 -43.16 80.44 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.584 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.76 -45.18 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.57 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.65 -44.77 92.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.482 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.51 90.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.76 -40.66 97.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.5 -40.49 96.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.758 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.699 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.653 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 -32.9 96.9 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -41.14 89.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.47 -42.07 92.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.32 94.89 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.4 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.081 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.27 -41.02 94.62 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.449 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 3.2 mm? -70.16 -37.76 75.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.075 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -38.12 80.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.028 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.94 -45.83 93.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.474 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -61.68 -45.48 93.82 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.213 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -68.04 -42.52 80.43 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.009 0.433 . . . . 0.0 110.468 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.28 -44.91 90.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.481 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.81 -44.61 92.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.375 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.51 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.62 -43.32 97.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -40.41 96.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.5 -40.69 97.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.826 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.683 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.708 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.8 -39.52 83.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.7 2.266 . . . . 0.0 112.223 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.7 -43.83 97.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.18 -37.91 84.51 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -59.91 -47.04 87.37 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.782 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.19 93.7 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.428 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.08 -43.74 67.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.232 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.11 -41.82 94.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.46 -37.56 87.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.937 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -60.64 -44.05 96.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.83 96.31 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.03 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.344 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -65.28 -45.2 85.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.383 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.7 -41.99 98.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.38 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.46 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.87 -43.34 98.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.296 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.64 -41.04 93.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.13 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.46 0.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.1 -39.93 78.46 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.677 2.251 . . . . 0.0 112.14 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.84 -45.06 95.46 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.359 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.4 -38.22 87.0 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -59.13 -47.71 84.27 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.63 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.7 91.41 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.468 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.87 -42.1 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.65 -41.6 87.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.443 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -62.89 -38.07 89.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.17 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -60.41 -44.18 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.164 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.08 95.19 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.13 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.17 83.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.004 0.431 . . . . 0.0 110.275 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -65.57 -45.19 84.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.239 0.542 . . . . 0.0 110.346 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.74 -42.23 97.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.423 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.53 84.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.5 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.76 -41.27 92.29 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.116 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.86 -41.42 99.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.657 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.739 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -53.89 -39.98 82.39 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.748 2.299 . . . . 0.0 111.938 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -40.22 94.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.84 -41.34 95.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -45.02 95.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.646 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.21 94.24 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.716 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.28 -43.57 90.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.222 0.534 . . . . 0.0 110.591 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.15 -40.02 95.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -36.52 79.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.155 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -59.23 -45.3 91.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.82 98.32 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.495 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.97 94.27 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.422 . . . . 0.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -63.96 -44.3 93.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -63.52 -40.83 98.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.79 88.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.305 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.173 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.38 -39.43 93.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.449 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.88 -40.97 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.742 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.88 -40.88 74.08 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.763 2.309 . . . . 0.0 111.93 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.53 -40.71 96.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.631 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.95 -41.49 97.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -45.27 95.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.663 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.16 93.72 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -65.36 -42.59 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.625 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.82 -39.5 90.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.686 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -37.65 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.177 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.0 m -57.71 -45.2 86.07 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.85 98.06 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.525 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.82 94.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.98 0.419 . . . . 0.0 110.773 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.04 -44.44 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.106 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -63.57 -40.82 97.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.265 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.16 86.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.307 0.575 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.05 -41.37 99.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.001 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.55 -39.5 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.63 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.625 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 179.219 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.24 -33.0 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.517 1.478 . . . . 0.0 111.934 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.85 -40.92 83.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -67.23 -40.97 86.42 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.19 -43.94 95.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.103 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.41 93.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.053 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.1 -41.74 90.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.193 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.79 -39.37 93.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.12 -42.45 85.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 109.705 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -61.42 -44.82 96.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.114 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.84 95.8 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.813 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.06 88.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.234 0.54 . . . . 0.0 110.508 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' OE2' ' OE1' ' A' ' 17' ' ' GLU . 15.7 tm-20 -65.56 -44.66 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.02 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.36 -39.86 94.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.222 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.23 86.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.73 -42.57 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' OE2' ' A' ' 13' ' ' GLU . 98.6 mt-10 -62.11 -40.28 95.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.4 -40.85 98.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.733 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.67 -33.41 98.25 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.614 1.543 . . . . 0.0 112.097 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.96 -40.61 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -67.71 -41.26 83.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.78 -44.49 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.934 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.92 91.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.164 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.95 -40.67 87.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.223 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.44 -38.47 87.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 -43.25 85.49 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.38 -44.55 96.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.436 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.66 96.42 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.537 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.56 89.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.072 0.463 . . . . 0.0 110.52 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' OE2' ' OE1' ' B' ' 17' ' ' GLU . 15.9 tm-20 -65.45 -44.73 86.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.45 -39.84 94.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.222 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.96 85.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.735 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.45 ' OE1' ' OE2' ' B' ' 13' ' ' GLU . 98.6 mt-10 -62.13 -40.4 95.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 18' ' ' LEU . 95.6 mt -63.17 -40.98 99.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.889 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.575 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.73 -28.47 86.55 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.043 1.829 . . . . 0.0 112.051 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.91 -40.26 91.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.35 -38.93 91.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.497 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -48.27 81.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.859 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.089 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.19 -39.75 95.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.74 -18.81 39.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.51 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.7 t -62.97 -46.13 89.17 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.43 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 t -64.12 -38.85 92.56 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.266 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.41 82.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.073 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.94 -42.49 85.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.168 0.508 . . . . 0.0 110.741 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.5 -41.11 98.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.278 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.32 91.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.277 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.38 -41.27 98.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.304 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.11 -39.75 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.94 -40.77 98.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.789 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.55 -28.69 87.09 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.05 1.833 . . . . 0.0 112.099 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.2 -40.55 94.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 110.06 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.67 -39.12 93.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.745 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' B' ' 6' ' ' ALA . 0.0 OUTLIER -58.83 -49.43 77.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.683 179.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' B' ' 5' ' ' ARG . . . -61.15 -41.63 97.1 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.754 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.71 -38.44 91.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.97 -16.75 39.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.328 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.5 t -64.11 -46.18 85.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.451 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -64.57 -38.35 90.69 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.239 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.28 94.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.29 81.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.908 0.385 . . . . 0.0 111.067 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.41 -42.0 83.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.634 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -41.03 98.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.385 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.29 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.957 0.408 . . . . 0.0 110.223 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -62.21 -41.19 98.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.268 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -39.75 93.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.14 -40.69 98.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -38.05 82.94 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.617 2.212 . . . . 0.0 111.83 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.85 -42.72 99.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.222 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.23 -39.11 89.32 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.194 0.521 . . . . 0.0 109.988 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.93 -46.48 84.95 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.335 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.94 87.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 0.0 110.563 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.52 -41.69 84.01 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.882 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.2 mt -65.81 -39.17 90.64 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.514 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 -37.93 81.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.931 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -59.52 -43.45 93.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.67 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.275 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.36 77.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.7 -44.15 91.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.476 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.21 -43.09 99.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.9 88.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.479 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.75 -43.91 97.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -63.98 -39.8 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.86 -41.32 99.33 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.32 -37.74 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.627 2.218 . . . . 0.0 111.923 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.61 -43.6 98.41 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.218 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.38 -39.65 92.54 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.078 0.466 . . . . 0.0 110.125 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.3 -47.08 82.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.108 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.85 89.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.444 . . . . 0.0 110.237 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -69.07 -39.82 78.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.725 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.1 -39.14 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -36.95 78.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.214 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.2 m -59.5 -42.49 92.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.58 93.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.22 -43.37 82.21 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.84 -44.38 89.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.645 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.48 -43.02 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.517 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.72 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.452 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.93 -43.48 98.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -63.92 -40.45 96.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.62 -41.16 98.84 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.846 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' B74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_