data_2lcn_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 2lcn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 12' ' ' LEU . 76.0 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 N-CA-C 111.286 -0.313 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -7.29 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.385 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 10' ' ' PRO . 20.9 mt -59.38 -59.81 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.027 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -27.4 13.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.28 -55.9 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.221 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.25 -54.76 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.873 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -74.66 -47.21 33.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.143 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.553 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.0 t90 -52.86 -54.81 29.07 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.103 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.426 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 12' ' ' LEU . 98.4 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 N-CA-C 111.243 -0.33 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 -1.05 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' PRO . 25.9 mt -60.98 -60.63 3.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.171 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.05 -23.94 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -29.57 70.47 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.008 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.32 -54.58 45.13 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.002 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.22 -47.41 28.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.107 -179.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.548 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.18 -53.65 40.6 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.321 0.581 . . . . 0.0 110.14 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.888 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' LEU . 63.6 Cg_endo . . . . . 0 N--CA 1.496 1.633 0 CA-C-O 120.755 0.231 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -5.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.674 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' PRO . 18.5 mt -60.16 -60.06 4.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.528 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.56 -25.51 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -79.51 -55.14 5.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.47 70.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.194 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.32 -54.44 47.02 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.34 -47.51 27.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.111 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -52.66 -54.42 33.62 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.366 0.603 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.35 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' A' ' 12' ' ' LEU . 82.7 Cg_exo . . . . . 0 N--CA 1.492 1.403 0 N-CA-C 110.872 -0.472 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 -9.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.47 . . . . 0.0 109.778 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 10' ' ' PRO . 58.0 mt -58.3 -59.55 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.955 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -31.26 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.506 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.99 -58.14 3.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.4 62.42 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.29 -56.71 18.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.099 -0.641 . . . . 0.0 109.768 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.552 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -72.43 -47.34 49.84 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.271 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.24 -54.25 33.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.15 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.633 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 N--CA 1.492 1.385 0 N-CA-C 111.122 -0.376 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -7.05 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.24 -58.43 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.404 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.93 53.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.122 0.487 . . . . 0.0 109.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.07 -58.52 3.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.41 69.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.916 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.22 -56.72 17.42 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -74.2 -46.13 43.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.929 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -53.14 -54.44 35.74 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.335 0.588 . . . . 0.0 110.175 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.775 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -5.66 7.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.014 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.94 -58.5 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.568 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.41 -23.23 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.09 -56.38 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.37 70.7 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.147 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.68 -55.88 27.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.172 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -73.34 -46.8 47.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.679 -179.395 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -53.25 -54.08 41.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.336 0.588 . . . . 0.0 110.2 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.679 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.494 1.546 0 N-CA-C 111.619 -0.185 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -6.33 18.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.986 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.01 -59.48 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.92 -20.15 21.8 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.66 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.06 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.85 -53.9 52.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.164 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.32 -46.74 31.47 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.729 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.4 t90 -54.12 -54.79 34.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.877 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.59 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 N--CA 1.492 1.422 0 N-CA-C 111.278 -0.316 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.76 -7.31 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.489 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.51 -59.9 4.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.736 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.37 -23.6 25.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.777 0.322 . . . . 0.0 111.186 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -79.59 -55.47 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.46 68.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.041 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -56.5 21.11 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.26 -46.33 34.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.2 t90 -53.0 -54.47 34.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.369 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' LEU . 83.7 Cg_endo . . . . . 0 N--CA 1.494 1.515 0 N-CA-C 111.415 -0.263 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -0.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.112 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' PRO . 23.4 mt -60.09 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.31 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.81 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.764 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.54 -51.42 7.8 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.53 -31.09 71.09 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.792 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.96 -56.32 22.5 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.557 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.45 -47.55 32.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.959 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.485 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -54.5 -54.6 38.89 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.766 -179.854 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.512 ' C ' ' H ' ' A' ' 12' ' ' LEU . 59.1 Cg_endo . . . . . 0 N--CA 1.495 1.569 0 N-CA-C 111.379 -0.277 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -4.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' PRO . 23.7 mt -60.05 -59.84 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.824 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -25.62 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.36 -52.04 7.7 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.22 70.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.22 -56.8 16.45 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.43 -48.05 30.01 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.91 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.4 t90 -53.8 -54.47 37.85 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.587 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.56 -131.83 1.55 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.564 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.11 -33.4 72.07 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.247 -0.977 . . . . 0.0 110.712 -179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.421 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 7.8 p-90 -49.75 -0.61 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 2' ' ' TRP . 13.8 mt -70.92 -22.65 62.22 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.481 -0.762 . . . . 0.0 109.418 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.21 -13.65 62.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.588 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.66 -23.05 21.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.969 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.58 -19.11 60.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.909 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -71.17 -27.61 63.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.55 67.22 0.44 Allowed Pre-proline 0 C--N 1.331 -0.237 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.18 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 12' ' ' LEU . 76.0 Cg_exo -47.33 174.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.41 2.073 . . . . 0.0 111.286 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -7.29 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.385 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 10' ' ' PRO . 20.9 mt -59.38 -59.81 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.027 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -27.4 13.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.28 -55.9 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.221 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.25 -54.76 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.873 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -74.66 -47.21 33.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.143 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.553 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.0 t90 -52.86 -54.81 29.07 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.103 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.82 0.98 24.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.32 -132.22 1.88 Allowed Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.524 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.24 -29.93 66.86 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.353 -0.924 . . . . 0.0 110.132 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -50.77 -4.67 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.524 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 2' ' ' TRP . 11.6 mt -59.93 -48.1 83.1 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.2 -20.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LEU . 18.3 mt -78.6 -40.23 35.12 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.352 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.42 -8.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -98.95 -21.08 16.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -143.7 50.22 1.28 Allowed Pre-proline 0 N--CA 1.462 0.149 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 12' ' ' LEU . 98.4 Cg_endo -72.88 153.68 53.13 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.717 2.278 . . . . 0.0 111.243 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 -1.05 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' PRO . 25.9 mt -60.98 -60.63 3.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.171 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.05 -23.94 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -29.57 70.47 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.008 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.32 -54.58 45.13 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.002 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.22 -47.41 28.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.107 -179.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.548 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.18 -53.65 40.6 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.321 0.581 . . . . 0.0 110.14 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' C ' ' HO ' ' A' ' 20' ' ' ETA . . . -75.57 -44.91 40.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . 0.517 ' HO ' ' C ' ' A' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -141.55 -133.18 2.86 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.543 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.12 -31.78 72.84 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.29 -0.955 . . . . 0.0 110.558 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -51.68 0.37 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 2' ' ' TRP . 47.7 mt -70.31 -21.19 62.95 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.503 -0.748 . . . . 0.0 110.772 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.54 -14.24 61.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.726 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.15 -26.06 42.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.668 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.86 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -94.23 -18.53 21.59 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.403 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -150.02 56.18 2.14 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-O 120.815 0.34 . . . . 0.0 110.524 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' LEU . 63.6 Cg_endo -70.73 151.78 63.79 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.697 2.264 . . . . 0.0 111.513 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -5.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.674 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' PRO . 18.5 mt -60.16 -60.06 4.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.528 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.56 -25.51 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -79.51 -55.14 5.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.47 70.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.194 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.32 -54.44 47.02 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.34 -47.51 27.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.111 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -52.66 -54.42 33.62 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.366 0.603 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.19 2.3 15.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.35 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -153.96 -133.63 1.84 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.566 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.44 -32.48 71.41 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.183 -1.009 . . . . 0.0 110.489 -179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.438 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 7.2 p-90 -50.14 0.05 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.566 ' H ' ' C ' ' A' ' 2' ' ' TRP . 13.6 mt -73.08 -21.93 60.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.345 -0.847 . . . . 0.0 109.38 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.05 -15.69 63.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.392 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.38 -21.01 27.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.08 -14.85 58.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.038 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.8 -27.13 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.443 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.27 65.83 0.58 Allowed Pre-proline 0 C--N 1.33 -0.253 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.633 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' A' ' 12' ' ' LEU . 82.7 Cg_exo -44.95 161.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.332 2.021 . . . . 0.0 110.872 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 -9.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.47 . . . . 0.0 109.778 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 10' ' ' PRO . 58.0 mt -58.3 -59.55 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.955 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -31.26 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.506 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.99 -58.14 3.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 -27.4 62.42 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.29 -56.71 18.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.099 -0.641 . . . . 0.0 109.768 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.552 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -72.43 -47.34 49.84 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.271 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.24 -54.25 33.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.15 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.57 -16.96 58.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.633 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.35 -131.75 1.82 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.543 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.5 -31.63 72.8 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.325 -0.938 . . . . 0.0 110.51 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.415 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.4 p-90 -49.63 -0.49 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 2' ' ' TRP . 34.4 mt -73.0 -19.86 61.13 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.553 -0.717 . . . . 0.0 110.993 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.86 60.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.329 . . . . 0.0 110.69 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.64 -28.12 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -8.29 59.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.981 0.419 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt -90.92 -24.73 20.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.299 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.2 57.26 1.43 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.461 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.77 161.41 46.17 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.505 2.137 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -7.05 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.24 -58.43 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.404 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.93 53.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.122 0.487 . . . . 0.0 109.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.07 -58.52 3.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.41 69.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.916 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.22 -56.72 17.42 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -74.2 -46.13 43.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.929 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -53.14 -54.44 35.74 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.335 0.588 . . . . 0.0 110.175 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.56 9.39 4.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.775 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.67 -132.61 2.45 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.546 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.43 -30.83 71.27 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.312 -0.944 . . . . 0.0 110.411 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.7 p-90 -51.3 -0.49 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 2' ' ' TRP . 63.6 mt -72.79 -20.51 61.15 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 121.659 -0.651 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.82 -12.26 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.786 0.326 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt -78.75 -26.4 44.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.17 -11.79 59.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.438 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.55 -23.85 21.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -154.28 55.73 1.35 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.824 0.345 . . . . 0.0 110.539 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 9' ' ' ALA . 57.3 Cg_endo -68.77 166.57 25.75 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.589 2.193 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -5.66 7.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.014 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.94 -58.5 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.568 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.41 -23.23 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.09 -56.38 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.37 70.7 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.147 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.68 -55.88 27.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.172 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -73.34 -46.8 47.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.679 -179.395 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -53.25 -54.08 41.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.336 0.588 . . . . 0.0 110.2 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.42 -69.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.73 -131.14 1.45 Allowed Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.95 -32.07 73.47 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.086 -1.057 . . . . 0.0 110.37 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.9 p-90 -50.38 -0.14 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' H ' ' C ' ' A' ' 2' ' ' TRP . 34.3 mt -73.15 -21.37 60.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.52 -0.738 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.9 61.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.913 0.387 . . . . 0.0 110.716 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 -22.66 47.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.982 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 7.7 mp -86.55 -25.1 25.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.945 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.15 58.18 1.49 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.523 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.67 -175.91 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.749 2.299 . . . . 0.0 111.619 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -6.33 18.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.986 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.01 -59.48 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.92 -20.15 21.8 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.66 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.06 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.85 -53.9 52.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.164 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.32 -46.74 31.47 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.729 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.4 t90 -54.12 -54.79 34.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.877 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.62 4.41 11.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.54 -132.82 1.84 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.566 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.93 -31.64 72.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.346 -0.927 . . . . 0.0 110.647 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.414 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 8.4 p-90 -49.89 0.02 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.566 ' H ' ' C ' ' A' ' 2' ' ' TRP . 24.1 mt -73.16 -21.75 60.63 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.38 -0.825 . . . . 0.0 110.837 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.88 -13.73 61.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -77.26 -23.62 51.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.647 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.69 -10.18 59.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 7.2 mp -84.68 -26.33 27.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.76 59.86 1.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 0.0 110.597 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.86 178.69 6.09 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.481 2.12 . . . . 0.0 111.278 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.76 -7.31 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.489 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.51 -59.9 4.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.736 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.37 -23.6 25.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.777 0.322 . . . . 0.0 111.186 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -79.59 -55.47 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.46 68.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.041 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -56.5 21.11 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.26 -46.33 34.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.2 t90 -53.0 -54.47 34.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.72 -7.91 56.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.07 -133.39 1.96 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.19 -31.56 72.73 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.161 -1.019 . . . . 0.0 110.482 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.415 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.6 p-90 -49.8 -0.0 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' TRP . 18.8 mt -71.42 -21.32 62.0 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.394 -0.816 . . . . 0.0 110.557 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.85 -12.91 61.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.88 -25.19 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.674 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.25 -18.02 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -92.57 -19.02 22.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.32 58.08 3.2 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.813 0.34 . . . . 0.0 110.512 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' LEU . 83.7 Cg_endo -74.06 149.23 41.15 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.705 2.27 . . . . 0.0 111.415 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -0.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.112 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' PRO . 23.4 mt -60.09 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.31 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.81 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.764 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.54 -51.42 7.8 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.53 -31.09 71.09 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.792 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.96 -56.32 22.5 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.557 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.45 -47.55 32.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.959 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.485 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -54.5 -54.6 38.89 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.38 56.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.766 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.74 -132.77 1.91 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.546 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.73 -31.2 72.3 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.384 -0.908 . . . . 0.0 110.987 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 10.6 p-90 -49.81 0.1 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 2' ' ' TRP . 29.7 mt -72.53 -21.53 61.16 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.636 -0.665 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.04 -12.3 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.587 0.232 . . . . 0.0 110.759 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -79.2 -24.46 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.248 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.95 -15.15 42.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -92.2 -20.8 20.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.295 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -150.95 55.15 1.6 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-O 120.757 0.313 . . . . 0.0 110.761 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.512 ' C ' ' H ' ' A' ' 12' ' ' LEU . 59.1 Cg_endo -69.47 151.8 70.73 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.626 2.217 . . . . 0.0 111.379 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -4.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' PRO . 23.7 mt -60.05 -59.84 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.824 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -25.62 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.36 -52.04 7.7 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.22 70.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.22 -56.8 16.45 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.43 -48.05 30.01 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.91 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.4 t90 -53.8 -54.47 37.85 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -8.48 57.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 N-CA-C 111.286 -0.313 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -7.29 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.385 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 16' ' ' LEU . 20.9 mt -59.38 -59.81 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.027 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -27.4 13.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.28 -55.9 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.221 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 12' ' ' LEU . 5.8 mp -59.25 -54.76 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.873 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -74.66 -47.21 33.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.143 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.553 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.0 t90 -52.86 -54.81 29.07 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.103 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 12' ' ' LEU . 98.4 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 N-CA-C 111.243 -0.33 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 -1.05 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 16' ' ' LEU . 25.9 mt -60.98 -60.63 3.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.171 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.05 -23.94 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.21 -29.57 70.47 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.008 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.3 mp -59.32 -54.58 45.13 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.22 -47.41 28.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.107 -179.403 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.548 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.18 -53.65 40.6 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.321 0.581 . . . . 0.0 110.14 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 12' ' ' LEU . 63.6 Cg_endo . . . . . 0 N--CA 1.496 1.633 0 CA-C-O 120.755 0.231 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -5.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.674 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 16' ' ' LEU . 18.5 mt -60.16 -60.06 4.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.528 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.56 -25.51 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -79.51 -55.14 5.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.12 -30.47 70.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.194 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.1 mp -58.32 -54.44 47.02 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.045 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.34 -47.51 27.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.111 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -52.66 -54.42 33.62 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.366 0.603 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 12' ' ' LEU . 82.7 Cg_exo . . . . . 0 N--CA 1.492 1.403 0 N-CA-C 110.872 -0.472 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 -9.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.47 . . . . 0.0 109.778 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 16' ' ' LEU . 58.0 mt -58.3 -59.55 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.955 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -31.26 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.506 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.99 -58.14 3.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -57.45 -27.4 62.42 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.073 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 12' ' ' LEU . 4.8 mp -60.29 -56.71 18.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.099 -0.641 . . . . 0.0 109.768 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.552 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -72.43 -47.34 49.84 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.271 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.24 -54.25 33.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.15 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.633 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 N--CA 1.492 1.385 0 N-CA-C 111.122 -0.376 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -7.05 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.24 -58.43 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.404 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.93 53.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.122 0.487 . . . . 0.0 109.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -79.07 -58.52 3.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.5 -29.41 69.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.916 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.22 -56.72 17.42 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -74.2 -46.13 43.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.929 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -53.14 -54.44 35.74 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.335 0.588 . . . . 0.0 110.175 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.775 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -5.66 7.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.014 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.94 -58.5 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.568 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.41 -23.23 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.09 -56.38 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.69 -30.37 70.7 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.68 -55.88 27.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.172 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -73.34 -46.8 47.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.679 -179.395 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -53.25 -54.08 41.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.336 0.588 . . . . 0.0 110.2 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.494 1.546 0 N-CA-C 111.619 -0.185 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -6.33 18.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.986 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.01 -59.48 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.92 -20.15 21.8 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.79 -30.66 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.06 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.85 -53.9 52.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.164 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.32 -46.74 31.47 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.729 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.4 t90 -54.12 -54.79 34.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.877 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 N--CA 1.492 1.422 0 N-CA-C 111.278 -0.316 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.76 -7.31 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.489 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.51 -59.9 4.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.736 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.37 -23.6 25.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.777 0.322 . . . . 0.0 111.186 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -79.59 -55.47 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.04 -27.46 68.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.041 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -56.5 21.11 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.26 -46.33 34.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.2 t90 -53.0 -54.47 34.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 83.7 Cg_endo . . . . . 0 N--CA 1.494 1.515 0 N-CA-C 111.415 -0.263 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -0.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.112 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.4 mt -60.09 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.31 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.81 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.764 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.54 -51.42 7.8 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.53 -31.09 71.09 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -60.96 -56.32 22.5 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.45 -47.55 32.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.959 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.485 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -54.5 -54.6 38.89 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.766 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 59.1 Cg_endo . . . . . 0 N--CA 1.495 1.569 0 N-CA-C 111.379 -0.277 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -4.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.7 mt -60.05 -59.84 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.824 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -25.62 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.36 -52.04 7.7 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.57 -30.22 70.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.867 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -61.22 -56.8 16.45 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.43 -48.05 30.01 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.91 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.4 t90 -53.8 -54.47 37.85 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.56 -131.83 1.55 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.11 -33.4 72.07 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.247 -0.977 . . . . 0.0 110.712 -179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.421 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 7.8 p-90 -49.75 -0.61 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' TRP . 13.8 mt -70.92 -22.65 62.22 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.481 -0.762 . . . . 0.0 109.418 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.21 -13.65 62.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.588 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.66 -23.05 21.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.969 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.58 -19.11 60.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.909 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -71.17 -27.61 63.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.55 67.22 0.44 Allowed Pre-proline 0 C--N 1.331 -0.237 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.18 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.33 174.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.41 2.073 . . . . 0.0 111.286 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -7.29 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.385 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 16' ' ' LEU . 20.9 mt -59.38 -59.81 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.027 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -27.4 13.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.28 -55.9 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.221 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 12' ' ' LEU . 5.8 mp -59.25 -54.76 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.873 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -74.66 -47.21 33.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.143 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.553 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.0 t90 -52.86 -54.81 29.07 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.103 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -78.82 0.98 24.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.426 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.506 ' H2 ' ' HE1' ' A' ' 3' ' ' TRP . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.32 -132.22 1.88 Allowed Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.24 -29.93 66.86 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.353 -0.924 . . . . 0.0 110.132 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.506 ' HE1' ' H2 ' ' A' ' 0' ' ' ACE . 16.4 p-90 -50.77 -4.67 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.524 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 2' ' ' TRP . 11.6 mt -59.93 -48.1 83.1 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.2 -20.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LEU . 18.3 mt -78.6 -40.23 35.12 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.352 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.42 -8.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -98.95 -21.08 16.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -143.7 50.22 1.28 Allowed Pre-proline 0 N--CA 1.462 0.149 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 9' ' ' ALA . 98.4 Cg_endo -72.88 153.68 53.13 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.717 2.278 . . . . 0.0 111.243 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 -1.05 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 16' ' ' LEU . 25.9 mt -60.98 -60.63 3.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.171 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.05 -23.94 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.21 -29.57 70.47 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.008 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.3 mp -59.32 -54.58 45.13 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.22 -47.41 28.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.107 -179.403 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.548 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.18 -53.65 40.6 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.321 0.581 . . . . 0.0 110.14 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -75.57 -44.91 40.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -141.55 -133.18 2.86 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.12 -31.78 72.84 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.29 -0.955 . . . . 0.0 110.558 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -51.68 0.37 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' TRP . 47.7 mt -70.31 -21.19 62.95 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.503 -0.748 . . . . 0.0 110.772 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.54 -14.24 61.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.726 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.15 -26.06 42.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.668 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.86 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -94.23 -18.53 21.59 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.403 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -150.02 56.18 2.14 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-O 120.815 0.34 . . . . 0.0 110.524 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 12' ' ' LEU . 63.6 Cg_endo -70.73 151.78 63.79 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.697 2.264 . . . . 0.0 111.513 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -5.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.674 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 16' ' ' LEU . 18.5 mt -60.16 -60.06 4.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.528 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.56 -25.51 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -79.51 -55.14 5.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.12 -30.47 70.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.194 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.1 mp -58.32 -54.44 47.02 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.045 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.34 -47.51 27.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.111 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -52.66 -54.42 33.62 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.366 0.603 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.19 2.3 15.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.35 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -153.96 -133.63 1.84 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.535 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.44 -32.48 71.41 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.183 -1.009 . . . . 0.0 110.489 -179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.438 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 7.2 p-90 -50.14 0.05 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' A' ' 2' ' ' TRP . 13.6 mt -73.08 -21.93 60.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.345 -0.847 . . . . 0.0 109.38 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.05 -15.69 63.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.392 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.38 -21.01 27.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.08 -14.85 58.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.038 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.8 -27.13 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.443 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.27 65.83 0.58 Allowed Pre-proline 0 C--N 1.33 -0.253 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.633 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 12' ' ' LEU . 82.7 Cg_exo -44.95 161.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.332 2.021 . . . . 0.0 110.872 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 -9.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.47 . . . . 0.0 109.778 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 16' ' ' LEU . 58.0 mt -58.3 -59.55 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.955 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -31.26 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.506 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.99 -58.14 3.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -57.45 -27.4 62.42 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.073 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 12' ' ' LEU . 4.8 mp -60.29 -56.71 18.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.099 -0.641 . . . . 0.0 109.768 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.552 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -72.43 -47.34 49.84 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.271 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.24 -54.25 33.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.15 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.57 -16.96 58.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.633 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.35 -131.75 1.82 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.546 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.5 -31.63 72.8 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.325 -0.938 . . . . 0.0 110.51 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.415 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.4 p-90 -49.63 -0.49 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 2' ' ' TRP . 34.4 mt -73.0 -19.86 61.13 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.553 -0.717 . . . . 0.0 110.993 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.86 60.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.329 . . . . 0.0 110.69 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.64 -28.12 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -8.29 59.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.981 0.419 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt -90.92 -24.73 20.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.299 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.2 57.26 1.43 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.461 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.77 161.41 46.17 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.505 2.137 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -7.05 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.24 -58.43 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.404 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.93 53.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.122 0.487 . . . . 0.0 109.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -79.07 -58.52 3.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.5 -29.41 69.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.916 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.22 -56.72 17.42 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -74.2 -46.13 43.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.929 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -53.14 -54.44 35.74 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.335 0.588 . . . . 0.0 110.175 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -78.56 9.39 4.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.775 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.67 -132.61 2.45 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.513 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.43 -30.83 71.27 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.312 -0.944 . . . . 0.0 110.411 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.7 p-90 -51.3 -0.49 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 2' ' ' TRP . 63.6 mt -72.79 -20.51 61.15 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 121.659 -0.651 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.82 -12.26 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.786 0.326 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt -78.75 -26.4 44.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.17 -11.79 59.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.438 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.55 -23.85 21.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -154.28 55.73 1.35 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.824 0.345 . . . . 0.0 110.539 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 9' ' ' ALA . 57.3 Cg_endo -68.77 166.57 25.75 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.589 2.193 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -5.66 7.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.014 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.94 -58.5 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.568 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.41 -23.23 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.09 -56.38 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.69 -30.37 70.7 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.68 -55.88 27.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.172 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -73.34 -46.8 47.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.679 -179.395 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -53.25 -54.08 41.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.336 0.588 . . . . 0.0 110.2 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.42 -69.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.679 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.73 -131.14 1.45 Allowed Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.95 -32.07 73.47 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.086 -1.057 . . . . 0.0 110.37 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.9 p-90 -50.38 -0.14 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' TRP . 34.3 mt -73.15 -21.37 60.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.52 -0.738 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.9 61.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.913 0.387 . . . . 0.0 110.716 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 -22.66 47.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.982 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.7 mp -86.55 -25.1 25.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.945 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.15 58.18 1.49 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.523 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.67 -175.91 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.749 2.299 . . . . 0.0 111.619 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -6.33 18.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.986 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.01 -59.48 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.92 -20.15 21.8 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.79 -30.66 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.06 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.85 -53.9 52.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.164 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.32 -46.74 31.47 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.729 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.4 t90 -54.12 -54.79 34.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.877 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.62 4.41 11.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.54 -132.82 1.84 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.541 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.93 -31.64 72.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.346 -0.927 . . . . 0.0 110.647 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.414 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 8.4 p-90 -49.89 0.02 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 2' ' ' TRP . 24.1 mt -73.16 -21.75 60.63 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.38 -0.825 . . . . 0.0 110.837 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.88 -13.73 61.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -77.26 -23.62 51.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.647 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.69 -10.18 59.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.2 mp -84.68 -26.33 27.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.76 59.86 1.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 0.0 110.597 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.86 178.69 6.09 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.481 2.12 . . . . 0.0 111.278 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.76 -7.31 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.489 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.51 -59.9 4.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.736 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.37 -23.6 25.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.777 0.322 . . . . 0.0 111.186 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -79.59 -55.47 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.04 -27.46 68.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.041 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -56.5 21.11 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.26 -46.33 34.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.2 t90 -53.0 -54.47 34.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -76.72 -7.91 56.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.07 -133.39 1.96 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.19 -31.56 72.73 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.161 -1.019 . . . . 0.0 110.482 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.415 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.6 p-90 -49.8 -0.0 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' TRP . 18.8 mt -71.42 -21.32 62.0 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.394 -0.816 . . . . 0.0 110.557 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.85 -12.91 61.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.88 -25.19 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.674 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.25 -18.02 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -92.57 -19.02 22.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.32 58.08 3.2 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.813 0.34 . . . . 0.0 110.512 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 83.7 Cg_endo -74.06 149.23 41.15 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.705 2.27 . . . . 0.0 111.415 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -0.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.112 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.4 mt -60.09 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.31 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.81 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.764 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.54 -51.42 7.8 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.53 -31.09 71.09 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -60.96 -56.32 22.5 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.45 -47.55 32.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.959 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.485 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -54.5 -54.6 38.89 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -76.68 -30.38 56.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.766 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.74 -132.77 1.91 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.73 -31.2 72.3 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.384 -0.908 . . . . 0.0 110.987 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 10.6 p-90 -49.81 0.1 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' TRP . 29.7 mt -72.53 -21.53 61.16 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.636 -0.665 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.04 -12.3 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.587 0.232 . . . . 0.0 110.759 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -79.2 -24.46 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.248 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.95 -15.15 42.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -92.2 -20.8 20.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.295 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -150.95 55.15 1.6 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-O 120.757 0.313 . . . . 0.0 110.761 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 59.1 Cg_endo -69.47 151.8 70.73 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.626 2.217 . . . . 0.0 111.379 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -4.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.7 mt -60.05 -59.84 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.824 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -25.62 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.36 -52.04 7.7 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.57 -30.22 70.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.867 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -61.22 -56.8 16.45 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.43 -48.05 30.01 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.91 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.4 t90 -53.8 -54.47 37.85 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.48 -8.48 57.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.587 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 N-CA-C 111.286 -0.313 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -7.29 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.385 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 16' ' ' LEU . 20.9 mt -59.38 -59.81 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.027 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -27.4 13.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.28 -55.9 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.221 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 12' ' ' LEU . 5.8 mp -59.25 -54.76 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.873 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -74.66 -47.21 33.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.143 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.553 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.0 t90 -52.86 -54.81 29.07 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.103 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.426 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 12' ' ' LEU . 98.4 Cg_endo . . . . . 0 N--CA 1.495 1.592 0 N-CA-C 111.243 -0.33 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 -1.05 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 16' ' ' LEU . 25.9 mt -60.98 -60.63 3.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.171 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.05 -23.94 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.21 -29.57 70.47 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.008 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.3 mp -59.32 -54.58 45.13 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.22 -47.41 28.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.107 -179.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.548 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.18 -53.65 40.6 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.321 0.581 . . . . 0.0 110.14 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 12' ' ' LEU . 63.6 Cg_endo . . . . . 0 N--CA 1.496 1.633 0 CA-C-O 120.755 0.231 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -5.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.674 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 16' ' ' LEU . 18.5 mt -60.16 -60.06 4.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.528 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.56 -25.51 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -79.51 -55.14 5.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.12 -30.47 70.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.194 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.1 mp -58.32 -54.44 47.02 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.045 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.34 -47.51 27.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.111 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -52.66 -54.42 33.62 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.366 0.603 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.35 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 12' ' ' LEU . 82.7 Cg_exo . . . . . 0 N--CA 1.492 1.403 0 N-CA-C 110.872 -0.472 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 -9.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.47 . . . . 0.0 109.778 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 16' ' ' LEU . 58.0 mt -58.3 -59.55 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.955 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -31.26 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.506 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.99 -58.14 3.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -57.45 -27.4 62.42 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.073 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 12' ' ' LEU . 4.8 mp -60.29 -56.71 18.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.099 -0.641 . . . . 0.0 109.768 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.552 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -72.43 -47.34 49.84 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.271 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.24 -54.25 33.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.15 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.633 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 N--CA 1.492 1.385 0 N-CA-C 111.122 -0.376 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -7.05 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.24 -58.43 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.404 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.93 53.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.122 0.487 . . . . 0.0 109.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -79.07 -58.52 3.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.5 -29.41 69.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.916 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.22 -56.72 17.42 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -74.2 -46.13 43.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.929 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -53.14 -54.44 35.74 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.335 0.588 . . . . 0.0 110.175 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.775 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 N-CA-C 110.95 -0.442 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -5.66 7.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.014 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.94 -58.5 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.568 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.41 -23.23 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.09 -56.38 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.69 -30.37 70.7 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.68 -55.88 27.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.172 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -73.34 -46.8 47.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.679 -179.395 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.543 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -53.25 -54.08 41.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.336 0.588 . . . . 0.0 110.2 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.494 1.546 0 N-CA-C 111.619 -0.185 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -6.33 18.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.986 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.01 -59.48 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.92 -20.15 21.8 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.79 -30.66 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.06 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.85 -53.9 52.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.164 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.32 -46.74 31.47 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.729 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.533 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.4 t90 -54.12 -54.79 34.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.877 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 N--CA 1.492 1.422 0 N-CA-C 111.278 -0.316 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.76 -7.31 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.489 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.51 -59.9 4.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.736 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.37 -23.6 25.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.777 0.322 . . . . 0.0 111.186 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -79.59 -55.47 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.04 -27.46 68.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.041 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -56.5 21.11 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.26 -46.33 34.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.539 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.2 t90 -53.0 -54.47 34.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 83.7 Cg_endo . . . . . 0 N--CA 1.494 1.515 0 N-CA-C 111.415 -0.263 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -0.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.112 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.4 mt -60.09 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.31 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.81 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.764 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.54 -51.42 7.8 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.53 -31.09 71.09 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -60.96 -56.32 22.5 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.45 -47.55 32.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.959 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.485 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -54.5 -54.6 38.89 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.766 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 59.1 Cg_endo . . . . . 0 N--CA 1.495 1.569 0 N-CA-C 111.379 -0.277 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -4.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.7 mt -60.05 -59.84 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.824 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -25.62 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.36 -52.04 7.7 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.57 -30.22 70.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.867 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -61.22 -56.8 16.45 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.43 -48.05 30.01 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.91 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.4 t90 -53.8 -54.47 37.85 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.587 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.56 -131.83 1.55 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.11 -33.4 72.07 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.247 -0.977 . . . . 0.0 110.712 -179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.421 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 7.8 p-90 -49.75 -0.61 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' TRP . 13.8 mt -70.92 -22.65 62.22 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.481 -0.762 . . . . 0.0 109.418 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.21 -13.65 62.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.588 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.66 -23.05 21.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.969 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.58 -19.11 60.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.909 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -71.17 -27.61 63.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.55 67.22 0.44 Allowed Pre-proline 0 C--N 1.331 -0.237 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.18 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.33 174.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.41 2.073 . . . . 0.0 111.286 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -7.29 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.385 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 16' ' ' LEU . 20.9 mt -59.38 -59.81 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.027 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -27.4 13.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.28 -55.9 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.221 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 12' ' ' LEU . 5.8 mp -59.25 -54.76 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.873 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -74.66 -47.21 33.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.143 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.553 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.0 t90 -52.86 -54.81 29.07 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.103 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -78.82 0.98 24.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.426 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.506 ' H2 ' ' HE1' ' A' ' 3' ' ' TRP . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.32 -132.22 1.88 Allowed Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.24 -29.93 66.86 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.353 -0.924 . . . . 0.0 110.132 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.506 ' HE1' ' H2 ' ' A' ' 0' ' ' ACE . 16.4 p-90 -50.77 -4.67 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.524 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 2' ' ' TRP . 11.6 mt -59.93 -48.1 83.1 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.2 -20.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LEU . 18.3 mt -78.6 -40.23 35.12 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.352 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.42 -8.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -98.95 -21.08 16.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -143.7 50.22 1.28 Allowed Pre-proline 0 N--CA 1.462 0.149 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 9' ' ' ALA . 98.4 Cg_endo -72.88 153.68 53.13 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.717 2.278 . . . . 0.0 111.243 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.08 -1.05 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 16' ' ' LEU . 25.9 mt -60.98 -60.63 3.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.171 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.05 -23.94 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.21 -29.57 70.47 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.008 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.3 mp -59.32 -54.58 45.13 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.548 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.22 -47.41 28.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.107 -179.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.548 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.18 -53.65 40.6 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.321 0.581 . . . . 0.0 110.14 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -75.57 -44.91 40.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -141.55 -133.18 2.86 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.12 -31.78 72.84 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.29 -0.955 . . . . 0.0 110.558 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -51.68 0.37 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' TRP . 47.7 mt -70.31 -21.19 62.95 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.503 -0.748 . . . . 0.0 110.772 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.54 -14.24 61.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.726 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.15 -26.06 42.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.668 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.86 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -94.23 -18.53 21.59 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.403 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -150.02 56.18 2.14 Favored Pre-proline 0 N--CA 1.464 0.226 0 CA-C-O 120.815 0.34 . . . . 0.0 110.524 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 12' ' ' LEU . 63.6 Cg_endo -70.73 151.78 63.79 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.697 2.264 . . . . 0.0 111.513 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -5.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.674 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 16' ' ' LEU . 18.5 mt -60.16 -60.06 4.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.528 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.56 -25.51 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -79.51 -55.14 5.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.12 -30.47 70.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.194 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 12' ' ' LEU . 6.1 mp -58.32 -54.44 47.02 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.045 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.34 -47.51 27.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.111 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -52.66 -54.42 33.62 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.366 0.603 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.19 2.3 15.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.35 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -153.96 -133.63 1.84 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.535 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.44 -32.48 71.41 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.183 -1.009 . . . . 0.0 110.489 -179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.438 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 7.2 p-90 -50.14 0.05 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' A' ' 2' ' ' TRP . 13.6 mt -73.08 -21.93 60.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.345 -0.847 . . . . 0.0 109.38 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.05 -15.69 63.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.392 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.38 -21.01 27.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.08 -14.85 58.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.038 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.8 -27.13 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.443 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.27 65.83 0.58 Allowed Pre-proline 0 C--N 1.33 -0.253 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.633 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 12' ' ' LEU . 82.7 Cg_exo -44.95 161.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.332 2.021 . . . . 0.0 110.872 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 -9.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.47 . . . . 0.0 109.778 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 16' ' ' LEU . 58.0 mt -58.3 -59.55 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.955 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -31.26 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.506 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.99 -58.14 3.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -57.45 -27.4 62.42 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.073 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 12' ' ' LEU . 4.8 mp -60.29 -56.71 18.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.099 -0.641 . . . . 0.0 109.768 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.552 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -72.43 -47.34 49.84 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.271 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.6 t90 -52.24 -54.25 33.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.15 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.57 -16.96 58.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.633 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.35 -131.75 1.82 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.546 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.5 -31.63 72.8 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.325 -0.938 . . . . 0.0 110.51 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.415 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.4 p-90 -49.63 -0.49 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 2' ' ' TRP . 34.4 mt -73.0 -19.86 61.13 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.553 -0.717 . . . . 0.0 110.993 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.86 60.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.329 . . . . 0.0 110.69 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.64 -28.12 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.48 -8.29 59.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.981 0.419 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt -90.92 -24.73 20.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.299 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.2 57.26 1.43 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.461 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.77 161.41 46.17 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.505 2.137 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -7.05 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.24 -58.43 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.404 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.93 53.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.122 0.487 . . . . 0.0 109.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -79.07 -58.52 3.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -60.5 -29.41 69.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.916 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.22 -56.72 17.42 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -74.2 -46.13 43.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.929 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.6 t90 -53.14 -54.44 35.74 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.335 0.588 . . . . 0.0 110.175 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -78.56 9.39 4.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.775 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.67 -132.61 2.45 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.513 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.43 -30.83 71.27 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.312 -0.944 . . . . 0.0 110.411 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.7 p-90 -51.3 -0.49 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 2' ' ' TRP . 63.6 mt -72.79 -20.51 61.15 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 121.659 -0.651 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.82 -12.26 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.786 0.326 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt -78.75 -26.4 44.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.17 -11.79 59.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.438 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.55 -23.85 21.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -154.28 55.73 1.35 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.824 0.345 . . . . 0.0 110.539 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 9' ' ' ALA . 57.3 Cg_endo -68.77 166.57 25.75 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.589 2.193 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -5.66 7.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.014 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.94 -58.5 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.568 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.41 -23.23 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.09 -56.38 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.69 -30.37 70.7 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.68 -55.88 27.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.172 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.6 OUTLIER -73.34 -46.8 47.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.679 -179.395 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.543 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -53.25 -54.08 41.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.336 0.588 . . . . 0.0 110.2 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.42 -69.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.679 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.73 -131.14 1.45 Allowed Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.95 -32.07 73.47 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.086 -1.057 . . . . 0.0 110.37 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.9 p-90 -50.38 -0.14 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' TRP . 34.3 mt -73.15 -21.37 60.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.52 -0.738 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.9 61.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.913 0.387 . . . . 0.0 110.716 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 -22.66 47.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.982 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.7 mp -86.55 -25.1 25.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.945 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.15 58.18 1.49 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.523 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.67 -175.91 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.749 2.299 . . . . 0.0 111.619 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.32 -6.33 18.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.986 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.01 -59.48 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.92 -20.15 21.8 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -62.79 -30.66 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.06 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.85 -53.9 52.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.164 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -75.32 -46.74 31.47 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.729 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.533 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 28.4 t90 -54.12 -54.79 34.76 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.877 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.62 4.41 11.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.54 -132.82 1.84 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.541 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.93 -31.64 72.77 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.346 -0.927 . . . . 0.0 110.647 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.414 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 8.4 p-90 -49.89 0.02 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 2' ' ' TRP . 24.1 mt -73.16 -21.75 60.63 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.38 -0.825 . . . . 0.0 110.837 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.88 -13.73 61.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -77.26 -23.62 51.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.647 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.69 -10.18 59.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.2 mp -84.68 -26.33 27.83 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.76 59.86 1.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 0.0 110.597 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.86 178.69 6.09 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.481 2.12 . . . . 0.0 111.278 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.76 -7.31 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.489 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.51 -59.9 4.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.736 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.37 -23.6 25.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.777 0.322 . . . . 0.0 111.186 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.5 tp -79.59 -55.47 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.04 -27.46 68.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.041 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -56.5 21.11 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -75.26 -46.33 34.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.539 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.2 t90 -53.0 -54.47 34.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -76.72 -7.91 56.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.07 -133.39 1.96 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.19 -31.56 72.73 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.161 -1.019 . . . . 0.0 110.482 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.415 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 9.6 p-90 -49.8 -0.0 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' TRP . 18.8 mt -71.42 -21.32 62.0 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.394 -0.816 . . . . 0.0 110.557 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.85 -12.91 61.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.88 -25.19 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.674 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.25 -18.02 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.382 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -92.57 -19.02 22.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.202 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.32 58.08 3.2 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.813 0.34 . . . . 0.0 110.512 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 83.7 Cg_endo -74.06 149.23 41.15 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.705 2.27 . . . . 0.0 111.415 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -0.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.112 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.4 mt -60.09 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.31 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.81 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.764 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.54 -51.42 7.8 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.53 -31.09 71.09 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -60.96 -56.32 22.5 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.485 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.45 -47.55 32.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.959 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.485 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.5 t90 -54.5 -54.6 38.89 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -76.68 -30.38 56.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.766 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.74 -132.77 1.91 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.73 -31.2 72.3 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.384 -0.908 . . . . 0.0 110.987 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 10.6 p-90 -49.81 0.1 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' TRP . 29.7 mt -72.53 -21.53 61.16 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.636 -0.665 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.04 -12.3 60.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.587 0.232 . . . . 0.0 110.759 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -79.2 -24.46 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.248 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.95 -15.15 42.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -92.2 -20.8 20.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.295 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 10' ' ' PRO . . . -150.95 55.15 1.6 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-O 120.757 0.313 . . . . 0.0 110.761 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 12' ' ' LEU . 59.1 Cg_endo -69.47 151.8 70.73 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.626 2.217 . . . . 0.0 111.379 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -4.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 16' ' ' LEU . 23.7 mt -60.05 -59.84 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.824 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -25.62 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.36 -52.04 7.7 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -61.57 -30.22 70.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.867 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 12' ' ' LEU . 7.1 mp -61.22 -56.8 16.45 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.491 ' CE3' ' N ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -74.43 -48.05 30.01 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.91 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' N ' ' CE3' ' A' ' 17' ' ' TRP . 29.4 t90 -53.8 -54.47 37.85 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -77.48 -8.48 57.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.587 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_