data_2juw_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 2juw _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 ' 8' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -60.6 -30.81 70.06 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.42 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -63.51 -43.26 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.36 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 11' ' ' GLN . 5.4 tp-100 -62.34 -51.41 67.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.156 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' SER . 28.0 t -59.67 -50.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.8 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.99 -39.12 91.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.781 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -69.38 -34.06 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.836 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.3 -45.07 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.4 mt -61.9 -44.42 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 176.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -75.16 -40.64 59.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.763 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 pt -71.09 -26.09 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.283 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 171.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 17' ' ' ALA . 72.6 t -60.82 -38.52 79.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.091 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.577 HG23 HG21 ' B' ' 22' ' ' VAL . 97.4 t -61.21 -48.02 90.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD12 HD23 ' A' ' 37' ' ' LEU . 98.8 mt -58.45 -49.37 77.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.396 176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.01 -21.83 62.23 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.422 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -53.69 -35.34 61.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.339 0.59 . . . . 0.0 110.33 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 4.6 p80 -115.98 6.77 14.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.064 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? 35.42 49.63 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.489 1.118 . . . . 0.0 112.307 -176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.572 ' HB1' ' HD1' ' A' ' 26' ' ' HIS . . . -54.12 143.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.446 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.37 159.95 47.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 111.503 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.08 -46.6 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.726 -178.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -53.27 -50.68 64.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -71.33 -34.65 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.862 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -65.86 -43.33 88.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.587 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.2 mt -60.72 -37.18 80.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.85 0.357 . . . . 0.0 110.223 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.54 -50.76 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.29 72.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 HD12 ' A' ' 23' ' ' LEU . 4.6 mm? -62.71 -43.62 98.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.3 -44.29 96.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -69.1 -30.43 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.776 -0.249 . . . . 0.0 110.789 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 50.2 t -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.648 0.261 . . . . 0.0 110.732 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 37' ' ' LEU . 99.1 t -64.72 -52.12 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.937 175.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -63.33 -31.94 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.231 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -54.51 -42.35 70.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.031 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 25.6 mt -73.75 -32.89 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.675 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 97.2 mt -64.7 -51.9 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.323 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -71.04 -12.19 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.82 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -99.63 -59.9 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.352 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -95.1 -38.99 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -172.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 19.5 t -91.25 118.53 68.54 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.927 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -59.26 154.0 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 111.606 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 m -54.08 -40.57 67.33 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -37.77 77.82 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.585 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 m -80.57 -25.18 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.846 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.635 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 34.2 ttm180 -57.63 -35.58 70.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.131 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.1 -49.74 47.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.65 92.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.467 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.442 ' HA ' ' HG2' ' A' ' 60' ' ' GLN . 88.0 t -63.45 -39.59 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.81 -42.15 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 4.0 pt20 -71.87 -33.57 68.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.536 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.32 71.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.16 -40.03 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.62 64.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.42 -47.73 84.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.75 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.856 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -79.27 -18.17 53.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.0 m -69.85 -41.05 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 HG13 ' HD2' ' B' ' 54' ' ' ARG . 61.8 t -69.49 -38.32 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.893 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.619 -179.274 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 34.3 t . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.94 -49.75 72.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -65.5 -32.55 74.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 7.1 tp-100 -61.54 -56.3 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.264 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.05 -43.85 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.03 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.915 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.3 m -64.95 -35.32 80.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 26' ' ' HIS . 6.7 mp -61.41 -55.41 31.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.715 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -56.51 -48.11 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.152 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.601 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.99 -44.82 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.726 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.31 94.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.362 . . . . 0.0 110.759 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 15' ' ' LEU . 8.5 mt -67.65 -36.25 75.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.212 0.53 . . . . 0.0 110.04 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 38.6 mt -65.52 -37.83 87.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.133 177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.9 t -62.67 -35.97 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.613 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.577 HG21 HG23 ' A' ' 22' ' ' VAL . 61.0 t -61.19 -46.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.257 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.23 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.03 -52.17 45.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' HE3' HG11 ' B' ' 21' ' ' VAL . 89.1 mttt -53.15 -48.45 67.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.007 -177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.68 -16.91 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.984 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.472 ' HZ2' ' HB2' ' B' ' 27' ' ' LYS . 4.0 ttmp? 53.83 73.33 0.39 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.827 0.704 . . . . 0.0 109.934 -172.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.75 131.05 53.18 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.127 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.96 159.37 46.61 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.453 2.102 . . . . 0.0 111.037 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m -54.78 -40.99 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.02 -45.51 92.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.01 0.434 . . . . 0.0 110.746 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 12' ' ' VAL . 36.8 tp -69.08 -42.47 76.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.98 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.41 ' O ' HD21 ' B' ' 37' ' ' LEU . 13.2 p -63.86 -42.58 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.163 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.82 -38.88 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.1 ttm -63.77 -46.78 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.957 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.464 ' O ' HG22 ' B' ' 41' ' ' VAL . 3.3 mm? -60.01 -49.12 78.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.29 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -47.31 90.4 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.716 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.51 -32.73 72.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.833 -0.216 . . . . 0.0 111.042 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 41.9 t -65.38 -47.41 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.542 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 37' ' ' LEU . 94.3 t -60.0 -42.81 90.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.472 . . . . 0.0 110.433 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -68.11 -38.07 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.057 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.14 -27.5 68.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 92.1 mt -68.46 -40.09 81.17 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.312 0.577 . . . . 0.0 109.654 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.565 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.5 mt -65.84 -40.31 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.522 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.65 -10.97 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.714 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -99.42 -67.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 8.3 mmpt? -109.81 4.62 21.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -168.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.71 105.52 32.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.174 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.66 149.32 59.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 111.25 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -54.41 -33.47 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.31 0.244 . . . . 0.0 111.547 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.78 -48.86 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.779 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -85.44 -29.02 24.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.484 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.565 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 30.3 ttm180 -56.31 -37.38 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.36 -176.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.58 -44.55 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.747 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.6 -36.86 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.16 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 0.0 110.389 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.91 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.417 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.6 tm-20 -69.02 -39.84 79.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -60.21 -42.27 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.277 0.561 . . . . 0.0 109.778 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.68 -45.08 88.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.211 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.0 90.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 62.9 mttp -57.91 -59.8 4.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.93 81.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.84 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -175.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.37 92.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.641 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.06 -30.18 70.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.523 0.202 . . . . 0.0 111.085 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -66.25 -41.0 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.168 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.53 -49.64 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.088 0.47 . . . . 0.0 110.543 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -25.38 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.621 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.054 179.246 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 12' ' ' VAL . 47.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.25 -45.28 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.706 0.289 . . . . 0.0 110.494 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -62.81 -44.75 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.77 -58.28 8.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.2 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 8' ' ' SER . 61.6 t -61.05 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.74 -44.07 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -64.08 -37.92 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.734 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.734 ' O ' HG12 ' A' ' 19' ' ' ILE . 7.2 mp -63.37 -56.39 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.556 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.7 mt -51.59 -47.29 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 O-C-N 123.487 0.492 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -58.02 -50.18 74.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.218 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.41 -36.21 83.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.442 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.734 HG12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -59.47 -46.35 92.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.588 0.709 . . . . 0.0 109.43 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.95 -35.48 76.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.081 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' O ' ' A' ' 17' ' ' ALA . 69.3 t -60.89 -37.74 77.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.328 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 HG22 ' B' ' 22' ' ' VAL . 79.5 t -61.61 -51.32 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.764 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD12 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -52.34 -51.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.642 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -72.57 -24.36 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 ttmm -64.84 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 109.902 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.9 -5.51 59.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.885 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm 58.82 44.15 17.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 124.65 91.04 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.197 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 162.66 13.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.469 2.112 . . . . 0.0 111.143 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.414 ' OG1' ' HE3' ' B' ' 48' ' ' LYS . 8.8 m -55.34 -39.68 70.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.132 0.492 . . . . 0.0 110.477 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 35' ' ' MET . 24.4 t70 -55.41 -49.52 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.678 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -74.54 -40.99 61.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.741 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 8.3 p -64.83 -39.4 93.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.881 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.583 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 65.1 mtt -59.8 -55.08 38.75 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.272 173.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.24 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.461 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.505 HD21 HD12 ' A' ' 23' ' ' LEU . 54.5 mt -66.74 -41.42 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.583 0.23 . . . . 0.0 110.741 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' B' ' 61' ' ' PHE . . . -58.44 -48.41 84.2 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.21 -36.79 83.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 53.0 t -59.35 -55.91 28.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.54 -43.38 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.522 ' HA ' HD11 ' A' ' 45' ' ' LEU . 4.8 m -71.25 -29.37 65.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.933 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.04 -40.52 91.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.011 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 95.3 mt -61.33 -37.58 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 109.942 176.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD11 ' HA ' ' A' ' 42' ' ' THR . 37.2 mt -60.46 -55.52 32.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.762 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.651 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 2.8 pp20? -77.34 -5.39 49.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.851 0.358 . . . . 0.0 111.838 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -90.47 -52.82 4.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.16 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' OG1' ' B' ' 30' ' ' THR . 12.2 tmtt? -98.16 -38.29 9.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.329 -173.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -94.93 129.03 37.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 111.443 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.22 150.75 64.25 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.143 2.562 . . . . 0.0 111.904 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.3 m -47.9 -43.16 28.58 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -60.36 -59.15 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 110.885 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -75.08 -15.42 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.865 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.651 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 39.6 ttm180 -57.28 -40.15 77.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.133 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 27.1 mt-30 -71.91 -45.77 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -55.42 -50.46 69.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.446 -178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.83 -39.31 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -58.93 -46.18 88.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 69.6 mt-10 -61.21 -50.48 72.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.225 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.3 mt-30 -55.39 -47.37 75.97 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.05 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.38 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.363 . . . . 0.0 111.177 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.15 -44.36 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.46 94.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.22 -54.94 41.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.103 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.219 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.95 -37.7 88.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 m -67.41 -35.8 80.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.6 -40.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.697 -179.211 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.422 ' O ' HG21 ' B' ' 12' ' ' VAL . 22.9 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -58.49 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 109.907 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.9 m -74.95 -39.82 61.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.214 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.406 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 22.1 tp60 -60.26 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.298 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 16' ' ' ILE . 48.9 t -67.01 -46.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.654 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.82 -42.28 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.752 0.31 . . . . 0.0 110.98 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.1 t -65.16 -34.9 79.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.384 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.55 ' O ' HG13 ' B' ' 19' ' ' ILE . 39.1 tp -66.48 -42.26 87.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 12' ' ' VAL . 73.2 mt -58.54 -45.79 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.07 0.462 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.588 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -57.84 -40.12 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.067 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' B' ' 14' ' ' SER . 12.6 mm-40 -55.45 -48.05 75.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.254 0.549 . . . . 0.0 110.643 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 15' ' ' LEU . 5.3 mt -66.5 -37.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.604 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.41 -32.78 74.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 17' ' ' ALA . 75.3 t -60.63 -47.06 94.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 22' ' ' VAL . 61.4 t -59.11 -58.01 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.8 mt -46.16 -58.32 3.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.07 -17.42 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -76.69 -20.6 56.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.23 0.538 . . . . 0.0 110.023 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -100.59 -5.77 26.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.931 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm 61.34 38.25 16.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.974 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.69 118.16 54.81 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.684 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.52 163.96 11.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.62 2.213 . . . . 0.0 111.751 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.478 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 20.6 m -56.66 -44.34 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.204 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.133 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -69.24 -41.33 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 110.29 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -61.96 -42.1 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.037 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.5 mt -59.77 -45.2 92.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.8 ttp -68.37 -40.24 81.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.025 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.515 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.474 ' O ' HG21 ' B' ' 41' ' ' VAL . 4.6 mm? -54.75 -41.69 70.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.53 -42.73 94.15 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.803 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -74.25 -27.09 60.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 82.6 m -66.37 -48.16 71.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.78 0.324 . . . . 0.0 110.374 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 37' ' ' LEU . 47.8 t -61.26 -46.67 96.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.647 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -39.67 84.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.739 0.304 . . . . 0.0 111.467 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -57.86 -36.38 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.1 mt -81.98 -44.26 16.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.652 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 10.3 tt -60.53 -35.77 76.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.719 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.18 -46.75 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -90.61 -22.49 21.2 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.414 ' HE3' ' OG1' ' A' ' 30' ' ' THR . 28.9 mtpp -105.38 -12.26 16.1 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.202 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.652 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t -119.11 130.76 24.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.21 142.73 27.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.175 2.584 . . . . 0.0 112.611 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.0 t -50.48 -44.31 55.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.879 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -63.35 -25.62 68.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -101.58 -3.9 27.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.514 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -61.74 -46.94 87.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.577 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -67.7 -31.12 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -51.06 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.252 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.77 -36.66 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.546 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.56 92.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -65.66 -43.29 89.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.958 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.21 94.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.712 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.409 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 47.5 t80 -61.71 -50.65 71.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.07 97.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.273 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.58 89.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.427 HD21 ' OG1' ' A' ' 42' ' ' THR . 3.5 mt -65.46 -47.34 76.47 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.24 90.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.056 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -34.14 76.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -75.48 -23.22 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -95.32 -50.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.75 -21.07 61.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 120.971 0.415 . . . . 0.0 111.013 -179.646 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.78 -40.88 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -65.03 -36.92 85.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.525 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.27 -53.47 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.457 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 16' ' ' ILE . 47.6 t -59.14 -48.3 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.713 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.63 -36.33 82.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -56.77 -47.97 78.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.767 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.695 ' O ' HG12 ' A' ' 19' ' ' ILE . 10.4 mp -60.27 -51.01 71.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.341 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.1 mt -54.35 -46.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 O-C-N 123.5 0.5 . . . . 0.0 110.979 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.84 -42.29 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.278 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.27 -36.05 71.59 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.643 0.259 . . . . 0.0 111.012 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.757 HG23 HG23 ' B' ' 19' ' ' ILE . 10.1 mm -59.26 -41.21 83.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 23' ' ' LEU . 96.0 mt -67.25 -32.36 73.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.167 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.8 t -58.3 -44.71 88.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.663 0.268 . . . . 0.0 110.445 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.51 -50.09 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.531 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD12 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -53.23 -48.75 67.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.509 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' CD ' ' HZ2' ' A' ' 27' ' ' LYS . 1.2 mm-40 -67.46 -36.16 80.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.169 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 20.1 ttmm -72.36 -28.42 63.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.805 0.336 . . . . 0.0 110.682 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.44 -22.22 44.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HZ2' ' CD ' ' A' ' 24' ' ' GLU . 14.4 tppt? 61.54 47.59 6.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.66 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -76.18 130.08 78.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.801 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.8 Cg_exo -64.84 169.22 12.01 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.852 2.368 . . . . 0.0 111.212 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.428 HG23 ' HD3' ' B' ' 48' ' ' LYS . 63.6 m -52.3 -43.45 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.057 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.9 -59.82 4.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.923 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD12 HG23 ' B' ' 12' ' ' VAL . 35.4 tp -71.69 -31.95 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.164 -173.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' HD22 ' A' ' 37' ' ' LEU . 22.7 t -62.19 -47.41 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.21 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.48 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.5 ttm -66.71 -42.22 86.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.68 92.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.56 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD21 HD12 ' A' ' 23' ' ' LEU . 4.3 mm? -61.93 -50.93 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.38 -47.16 77.33 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.994 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.8 -41.42 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.713 0.292 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.4 -37.25 86.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 37' ' ' LEU . 95.8 t -59.91 -48.03 89.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.598 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -34.54 67.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 0.0 111.609 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -66.62 -30.86 71.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.52 -39.05 74.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.298 174.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 96.1 mt -59.95 -48.86 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.17 -12.12 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.92 -65.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.09 -9.45 55.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.917 -170.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 48.5 t -112.45 133.24 21.85 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.984 -175.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.3 Cg_exo -55.41 150.14 43.45 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.089 2.526 . . . . 0.0 112.232 175.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -51.2 -56.99 9.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.09 -34.51 76.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.462 . . . . 0.0 110.971 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 m -71.32 -27.38 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 95.1 mtt180 -56.92 -33.23 66.74 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.688 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -71.02 -53.01 16.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.986 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -73.56 -37.85 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.974 -174.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.21 -41.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.56 85.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 0.0 110.26 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.71 -52.21 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.633 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 37.6 mm-40 -68.68 -29.91 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.437 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -64.46 -46.56 82.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.179 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.73 98.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.82 -42.21 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.919 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.36 85.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.21 -50.86 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.945 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.12 77.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.68 -38.42 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -63.76 -37.68 88.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.46 -38.92 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.352 0.596 . . . . 0.0 110.358 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.156 178.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.468 ' O ' HG22 ' B' ' 12' ' ' VAL . 39.2 m . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.692 0.282 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.1 -49.67 76.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.201 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.0 m -62.28 -39.11 91.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.46 -50.98 69.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 32' ' ' LEU . 58.7 t -59.62 -50.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.933 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.98 -32.31 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.888 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 59.5 m -66.06 -41.0 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.528 ' O ' HG13 ' B' ' 19' ' ' ILE . 4.8 mt -58.86 -58.1 10.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.921 172.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 80.1 mt -46.16 -49.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.532 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.57 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -60.73 -50.64 72.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.077 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.89 -31.98 63.37 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.572 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.757 HG23 HG23 ' A' ' 19' ' ' ILE . 78.7 mt -65.4 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.058 0.456 . . . . 0.0 110.047 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.2 mt -66.6 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.57 HG22 ' O ' ' B' ' 17' ' ' ALA . 75.5 t -61.01 -38.34 79.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.6 -52.01 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.58 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.753 HD13 HD21 ' B' ' 37' ' ' LEU . 95.8 mt -49.98 -54.43 20.06 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.782 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -79.63 -4.81 53.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.46 -35.96 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.75 -16.23 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.921 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 tttm 60.62 47.79 7.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 108.971 -173.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 133.65 95.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.317 -176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.82 163.94 10.5 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.867 2.378 . . . . 0.0 111.448 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 m -54.88 -43.55 73.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -73.19 -31.99 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.32 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 tp -74.95 -33.58 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.257 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m -61.22 -47.2 87.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.197 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.75 -35.7 79.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttm -67.31 -45.77 75.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.908 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.68 64.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.624 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.753 HD21 HD13 ' B' ' 23' ' ' LEU . 4.5 mm? -58.54 -52.1 67.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.321 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.105 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.12 -34.28 78.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.57 0.224 . . . . 0.0 110.569 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.567 ' HG ' HD11 ' A' ' 37' ' ' LEU . 49.0 t -68.56 -45.78 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.526 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 37' ' ' LEU . 96.4 t -57.1 -46.81 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.122 177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -68.04 -35.01 77.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.801 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -64.16 -35.75 81.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.425 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.43 -42.34 44.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.097 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.66 -49.57 77.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.701 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.49 -33.12 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -45.53 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.108 -0.37 . . . . 0.0 111.461 -173.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.428 ' HD3' HG23 ' A' ' 30' ' ' THR . 65.2 mttm -86.03 -33.37 21.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.817 -172.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.405 HG22 HG21 ' B' ' 57' ' ' VAL . 42.0 t -96.13 130.59 30.78 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.987 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.597 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 52.0 Cg_exo -55.46 145.8 66.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.796 2.331 . . . . 0.0 111.731 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -50.98 -39.92 56.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.051 0.453 . . . . 0.0 111.359 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.56 -25.52 64.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.965 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -101.23 -3.64 28.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.64 0.257 . . . . 0.0 111.304 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.2 mtt180 -66.3 -32.94 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.019 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -65.53 -42.41 92.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.304 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -52.84 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.374 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.405 HG21 HG22 ' B' ' 49' ' ' VAL . 33.5 m -68.29 -26.76 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.61 92.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -71.46 -37.73 71.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.74 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 97.1 mt-30 -70.3 -42.16 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.111 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.47 -47.22 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.08 85.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.304 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' B' ' 60' ' ' GLN . 16.9 tppt? -56.37 -56.48 20.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.413 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.057 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.1 -50.77 70.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.48 87.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -70.38 -22.3 62.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.741 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 64.3 m -74.12 -43.59 56.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 0.0 110.2 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 -43.36 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.4 . . . . 0.0 110.683 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -75.23 -16.07 60.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.267 179.46 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 12' ' ' VAL . 30.7 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.57 -34.58 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.325 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -61.52 -41.24 97.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.326 0.584 . . . . 0.0 109.92 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' HD11 ' A' ' 15' ' ' LEU . 53.7 tt0 -68.55 -48.96 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.634 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 8' ' ' SER . 47.8 t -57.11 -49.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.613 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.55 -40.78 92.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.7 t -58.2 -42.37 86.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HG ' ' ND1' ' B' ' 26' ' ' HIS . 10.5 mp -65.0 -49.47 70.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.196 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.2 mt -59.6 -45.27 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.526 0.516 . . . . 0.0 110.715 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -58.88 -45.26 90.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.38 -27.81 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.047 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.4 mt -68.33 -38.46 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 173.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 17' ' ' ALA . 94.9 t -58.82 -40.16 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.571 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.606 HG21 HG22 ' B' ' 22' ' ' VAL . 62.1 t -61.82 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.635 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD12 HD21 ' A' ' 37' ' ' LEU . 95.8 mt -53.29 -51.02 63.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.293 174.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -36.66 84.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.946 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.82 -26.69 68.87 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.408 ' HE2' ' CD ' ' B' ' 18' ' ' GLU . 82.8 m-70 -104.98 3.26 30.47 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.163 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 57.18 36.68 27.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.673 0.608 . . . . 0.0 110.846 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 116.32 21.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.821 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.4 158.71 55.78 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.415 2.077 . . . . 0.0 111.08 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.1 m -48.12 -48.16 34.14 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.308 0.38 . . . . 0.0 111.909 -176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.81 -50.16 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.347 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.7 -34.7 69.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -65.12 -42.04 94.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.7 mt -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.249 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.2 -47.38 82.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.337 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.96 -59.32 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.1 mm? -55.04 -51.09 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.945 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.09 -38.79 96.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.544 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.26 -43.56 97.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.441 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.6 t -57.62 -47.52 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.447 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -70.11 -32.8 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.403 0.62 . . . . 0.0 110.416 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -68.52 -37.14 79.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.247 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.67 -32.33 70.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.018 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 93.9 mt -60.42 -38.08 82.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.992 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.09 -44.82 68.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.874 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.745 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 mmp_? -100.13 -8.89 23.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -168.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -131.0 -8.18 3.9 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.206 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.6 t -123.97 135.39 26.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.06 142.65 99.58 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.338 2.026 . . . . 0.0 111.541 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -40.08 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -26.97 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -93.61 -21.52 19.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.803 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.7 mtt180 -51.13 -48.34 61.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.478 HE21 ' HA ' ' B' ' 70' ' ' LYS . 91.7 mt-30 -63.12 -36.82 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.38 -42.77 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.51 -37.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.124 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.88 95.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.455 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.27 -44.59 78.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 97.6 mt-30 -61.47 -39.95 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -63.97 -45.54 88.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.865 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' B' ' 62' ' ' ALA . . . -57.91 -43.94 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -57.86 -54.02 51.67 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.763 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.37 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.341 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.83 -57.09 10.95 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.98 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.753 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.54 -46.36 90.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.054 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.3 m -56.93 -37.6 71.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.2 t -75.13 -49.88 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.513 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -172.049 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG21 ' B' ' 12' ' ' VAL . 40.9 t . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -55.98 -39.01 71.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.697 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 14' ' ' SER . 20.1 m -61.02 -36.54 79.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -71.44 -47.62 54.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.161 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.418 HG21 ' O ' ' B' ' 8' ' ' SER . 93.3 t -53.46 -55.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.369 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.408 ' HA ' HD11 ' B' ' 16' ' ' ILE . 43.8 mt-10 -76.66 -18.64 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.727 -176.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' B' ' 10' ' ' THR . 23.0 t -65.2 -45.53 84.41 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.748 ' O ' HG12 ' B' ' 19' ' ' ILE . 10.4 mp -59.98 -51.61 68.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.337 177.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.408 HD11 ' HA ' ' B' ' 13' ' ' GLU . 76.4 mt -51.53 -48.73 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.573 0.546 . . . . 0.0 110.736 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.551 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.71 -47.3 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.077 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.478 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.3 mt-10 -63.36 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.748 HG12 ' O ' ' B' ' 15' ' ' LEU . 7.9 mm -60.51 -44.58 96.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.96 -37.92 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.086 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.2 t -57.26 -39.19 66.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 22' ' ' VAL . 48.5 t -67.81 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.1 -30.92 71.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.743 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.66 -43.42 97.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 60.8 mttm -66.59 -19.93 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.643 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 33.3 m170 -88.49 -24.46 22.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.202 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.626 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 7.8 mtpm? 57.25 37.3 28.19 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.771 0.669 . . . . 0.0 110.199 -174.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.1 125.2 91.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.483 -176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.1 167.21 16.65 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.761 2.308 . . . . 0.0 111.976 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -53.18 -46.41 68.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -67.36 -37.88 83.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.669 0.271 . . . . 0.0 111.487 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.22 -40.14 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.5 p -66.48 -47.17 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.787 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.57 -37.27 83.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.934 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.8 ttm -67.15 -40.44 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.638 ' HA ' ' ND2' ' B' ' 39' ' ' ASN . . . -71.43 -39.37 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.101 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG21 ' B' ' 41' ' ' VAL . 49.9 mt -65.37 -39.65 92.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.07 -43.62 93.23 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.624 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.638 ' ND2' ' HA ' ' B' ' 36' ' ' ALA . 6.2 p30 -80.66 -24.89 38.63 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.033 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.519 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 39.1 t -70.36 -44.37 68.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.709 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.599 HG22 ' HB3' ' A' ' 37' ' ' LEU . 84.6 t -61.0 -44.85 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.314 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -67.88 -32.85 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.287 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 17.0 t60 -63.88 -28.56 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.533 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 66.1 mt -71.53 -42.68 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.204 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.873 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 97.1 mt -62.8 -45.46 92.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.852 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.46 -15.35 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.233 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -96.65 -52.74 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -120.93 7.65 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -170.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.53 123.8 26.36 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.562 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.23 140.53 93.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.617 2.212 . . . . 0.0 111.598 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -46.86 -42.14 16.87 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.1 -55.66 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.919 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.433 ' O ' HG21 ' B' ' 57' ' ' VAL . 12.9 m -71.57 -24.98 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.873 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.0 ttm180 -57.64 -44.76 85.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.604 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.21 -36.61 79.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.214 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.36 77.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.433 HG21 ' O ' ' B' ' 53' ' ' SER . 98.9 t -66.04 -45.76 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.194 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.5 81.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.92 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.428 ' OE1' ' HE3' ' B' ' 63' ' ' LYS . 5.8 tp10 -57.38 -56.04 27.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.1 0.476 . . . . 0.0 110.709 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.42 -44.21 88.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.343 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.78 -44.73 95.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.954 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . . . -60.43 -44.3 95.91 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.136 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HE3' ' OE1' ' B' ' 59' ' ' GLU . 98.7 mttt -73.08 -37.82 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.3 99.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.517 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.36 -51.59 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.17 94.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.293 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 m -65.32 -44.87 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.54 -39.55 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.478 ' HA ' HE21 ' A' ' 55' ' ' GLN . 64.8 tttp -67.71 -52.21 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.365 -175.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -45.73 -47.1 15.38 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.597 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 m -50.28 -49.47 53.31 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.497 0.498 . . . . 0.0 111.748 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -70.8 -48.85 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.775 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.0 t -64.93 -49.99 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.467 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.81 -26.68 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.35 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 t -72.37 -35.21 68.43 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' O ' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -64.14 -54.35 35.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.798 176.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 12' ' ' VAL . 66.2 mt -54.68 -39.74 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.686 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -55.54 -49.46 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.203 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -72.07 -33.35 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.034 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 15' ' ' LEU . 58.4 mt -62.57 -38.6 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 109.817 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.12 -33.9 76.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.349 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 17' ' ' ALA . 96.7 t -67.12 -32.82 59.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG22 ' CG2' ' B' ' 22' ' ' VAL . 56.5 t -67.87 -40.92 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.46 -53.14 61.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.88 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.33 -19.11 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.33 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.58 -36.19 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 110.071 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' CE1' HD22 ' B' ' 15' ' ' LEU . 7.0 p80 -120.19 18.6 12.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.134 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt 78.41 -53.21 0.49 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.574 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 47.5 86.61 0.14 Allowed Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 123.982 0.802 . . . . 0.0 112.937 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.36 154.91 43.96 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.157 1.905 . . . . 0.0 111.101 174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.7 m -49.79 -43.13 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -52.96 -50.63 63.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD1' HG21 ' B' ' 12' ' ' VAL . 52.9 tp -69.25 -42.98 74.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.739 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -63.48 -40.43 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.528 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 84.1 mt -62.38 -45.91 91.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.674 0.273 . . . . 0.0 110.679 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.28 -38.41 91.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.035 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.22 -52.95 22.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.356 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -59.56 -40.64 87.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.64 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.89 -39.48 88.5 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.43 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.05 -34.62 57.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.79 -0.241 . . . . 0.0 110.971 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.56 0.219 . . . . 0.0 111.088 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.1 t -61.29 -46.59 96.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 110.237 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -63.72 -39.96 95.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.278 0.561 . . . . 0.0 110.701 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.932 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.2 -39.29 75.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.83 0.347 . . . . 0.0 110.453 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD21 HG22 ' A' ' 49' ' ' VAL . 96.1 mt -61.2 -41.55 97.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.59 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.31 -12.58 61.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.541 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.6 mmm180 -102.99 -67.28 0.89 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HE3' ' OG1' ' B' ' 30' ' ' THR . 44.6 mtmt -106.61 16.53 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.06 -171.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG22 HD21 ' A' ' 45' ' ' LEU . 46.9 t -123.48 123.63 26.42 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -56.64 140.67 90.77 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.848 2.365 . . . . 0.0 111.593 177.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 m -55.43 -30.61 60.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.91 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.34 -26.42 61.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.946 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -104.55 -9.63 18.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.3 mtt180 -58.26 -43.11 87.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.883 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 mp0 -62.09 -43.74 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.605 -178.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.5 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.681 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.92 -42.67 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.498 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.32 94.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.451 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 56.4 mt-10 -62.67 -49.11 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -71.94 -30.81 65.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.142 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.71 -38.52 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 109.529 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.32 -37.35 68.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.064 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.314 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.29 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.866 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.4 mp -59.29 -47.78 84.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.25 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.303 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.69 -38.48 70.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' LEU . 61.3 t -63.7 -43.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.7 mttp . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.217 177.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -58.48 -39.39 79.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -61.78 -24.21 66.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.86 -48.26 69.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 16' ' ' ILE . 21.2 t -71.22 -45.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.17 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -55.53 -55.07 36.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.962 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -73.49 -21.7 60.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.192 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.544 HD22 ' CE1' ' A' ' 26' ' ' HIS . 19.8 tp -68.23 -42.71 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.2 mt -54.27 -47.1 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -63.77 -37.01 85.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.347 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 22' ' ' VAL . 7.8 tp10 -64.03 -46.55 83.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.252 0.548 . . . . 0.0 109.958 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 15' ' ' LEU . 17.5 mt -67.91 -33.54 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.335 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.2 mt -64.73 -39.09 93.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 17' ' ' ALA . 82.9 t -59.59 -39.66 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.33 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.686 ' CG2' HG22 ' A' ' 22' ' ' VAL . 16.7 t -55.91 -56.49 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.445 177.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.09 -42.38 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.997 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.97 -46.52 90.38 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 29.2 mtpp -63.58 -16.23 60.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.908 -177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -108.71 -4.05 17.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.658 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 56.65 36.22 27.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.435 0.636 . . . . 0.0 110.148 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 123.03 76.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.837 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.0 158.04 31.45 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.898 2.398 . . . . 0.0 111.534 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 5.1 m -55.81 -47.47 77.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -59.34 -48.29 82.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.9 -43.52 98.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.0 m -62.97 -48.1 80.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.97 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.0 mt -61.7 -41.53 97.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.043 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.7 ttm -63.14 -44.09 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.198 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.0 93.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 33' ' ' SER . 60.5 mt -66.77 -40.95 88.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.58 90.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.025 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.58 -32.58 74.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.519 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.471 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.3 t -63.35 -53.69 48.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.516 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.494 HG21 ' O ' ' B' ' 37' ' ' LEU . 65.6 t -57.67 -44.37 85.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -61.38 -40.63 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.578 . . . . 0.0 110.562 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -74.29 -27.55 60.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.082 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 95.4 mt -67.45 -36.49 81.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.019 0.437 . . . . 0.0 109.915 175.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.694 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.464 ' HA ' ' NH2' ' B' ' 54' ' ' ARG . 42.2 mt-10 -67.09 -22.15 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.832 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' B' ' 47' ' ' ARG . 0.6 OUTLIER -85.48 -34.27 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -170.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -130.51 -30.61 1.87 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.949 -0.701 . . . . 0.0 112.477 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.6 123.37 65.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.524 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.598 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.49 148.47 80.76 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.704 2.269 . . . . 0.0 111.391 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -56.7 -38.34 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.887 0.375 . . . . 0.0 111.318 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.43 -43.06 99.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.879 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.453 ' O ' HG22 ' B' ' 57' ' ' VAL . 14.5 m -76.95 -31.19 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.3 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.9 mtt180 -51.7 -37.51 51.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -57.33 -52.45 65.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.193 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.93 -31.18 59.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.207 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.453 HG22 ' O ' ' B' ' 53' ' ' SER . 96.1 t -64.3 -46.59 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.784 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.84 -48.15 80.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.63 -35.08 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.24 -49.61 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.136 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.82 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.628 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -61.31 -45.69 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.546 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.99 78.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.856 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -61.28 -48.42 81.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.79 78.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.538 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.3 -38.84 92.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.235 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -63.42 -47.4 82.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.37 -42.47 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.52 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.37 -36.78 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.823 179.528 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.237 0.395 0 CA-C-O 120.723 0.297 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.97 -54.86 33.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.642 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -57.73 -36.74 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' HD12 ' A' ' 15' ' ' LEU . 53.4 tt0 -63.27 -53.29 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.8 t -64.03 -43.35 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.082 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.62 -52.09 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.674 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 p -66.73 -30.8 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.367 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -68.54 -47.84 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.738 176.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.4 mt -58.27 -44.48 88.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.341 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -55.99 -44.25 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.262 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HG21 ' A' ' 22' ' ' VAL . 9.6 tp10 -60.71 -44.42 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 15' ' ' LEU . 17.5 mt -65.62 -36.53 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.31 -38.39 90.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.274 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 17' ' ' ALA . 95.3 t -64.04 -31.69 54.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.439 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.781 HG23 HG21 ' B' ' 22' ' ' VAL . 84.1 t -59.95 -55.65 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.63 0.252 . . . . 0.0 110.612 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.75 -51.66 66.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -44.17 84.73 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.092 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 8.2 ttpm? -64.71 -24.59 67.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.704 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -94.98 -2.44 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 tttp 63.47 31.07 15.17 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.66 . . . . 0.0 110.152 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.21 130.79 64.58 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.166 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.92 157.21 62.66 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.47 2.113 . . . . 0.0 111.457 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -54.23 -38.2 65.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.635 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.4 -44.4 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD13 HG21 ' B' ' 12' ' ' VAL . 40.1 tp -73.11 -31.16 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.228 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -63.33 -47.22 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.422 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.87 -39.79 90.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.381 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -62.58 -46.16 89.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.1 77.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.278 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.64 76.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -70.2 -35.24 73.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.406 0.146 . . . . 0.0 110.808 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 t -60.87 -52.31 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.6 t -59.38 -44.62 92.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.67 -32.53 71.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.744 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -69.62 -27.45 65.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.904 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.42 -36.57 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.522 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 90.2 mt -64.79 -31.91 73.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.651 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 7.3 pt-20 -87.04 -14.32 41.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 21.6 mmt180 -107.43 -62.51 1.41 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -84.9 -13.91 49.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.0 t -110.65 129.22 24.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.629 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.48 151.39 85.06 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.32 2.014 . . . . 0.0 111.299 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 m -53.47 -30.69 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.693 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -53.08 57.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.152 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -94.82 -11.74 28.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.699 0.285 . . . . 0.0 111.131 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.578 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 41.1 ttm180 -54.57 -42.2 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.485 -177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -78.14 -41.01 36.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.247 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.28 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.699 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.7 -38.83 77.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.476 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.43 73.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.221 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 26.5 mt-10 -67.84 -45.23 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.674 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.74 -39.46 91.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.91 -42.24 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.83 ' HB2' ' HB1' ' B' ' 62' ' ' ALA . . . -60.57 -47.12 87.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.312 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 54.5 mttm -62.25 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.65 97.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.93 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.66 -51.97 67.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.35 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.21 95.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.493 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.85 -30.57 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -67.11 -36.55 82.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.921 0.391 . . . . 0.0 110.24 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG11 ' NE2' ' B' ' 55' ' ' GLN . 15.8 t -75.06 -39.99 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.088 0.47 . . . . 0.0 110.327 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.642 -173.403 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -53.84 -45.75 71.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.643 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.3 m -59.79 -42.3 93.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.007 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -61.99 -48.94 78.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.808 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.712 HG21 HD13 ' A' ' 32' ' ' LEU . 45.7 t -64.47 -46.17 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.55 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.005 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 m -71.93 -35.57 69.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.661 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.5 tp -60.28 -53.33 58.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.148 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.42 -39.72 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.424 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.52 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.57 -46.9 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.473 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.495 ' O ' HG22 ' B' ' 22' ' ' VAL . 34.6 tt0 -65.23 -39.5 92.83 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.532 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 15' ' ' LEU . 20.5 mt -60.03 -41.58 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.74 -43.09 94.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.108 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 78.0 t -59.12 -41.32 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 22' ' ' VAL . 78.5 t -56.64 -51.77 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 111.211 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' B' ' 33' ' ' SER . 94.3 mt -57.7 -38.82 75.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.814 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.75 -28.33 63.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.141 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 91.8 mttt -54.16 -45.86 72.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.153 0.501 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.639 ' HD1' ' HB3' ' B' ' 28' ' ' ALA . 3.3 p80 -97.93 -4.34 36.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.809 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 51.51 43.32 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.704 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.639 ' HB3' ' HD1' ' B' ' 26' ' ' HIS . . . -60.6 136.18 92.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.515 177.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.75 161.34 15.34 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.416 2.077 . . . . 0.0 111.396 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -56.73 -35.73 68.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.53 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -61.31 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.967 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.74 -38.02 79.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.19 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 59.5 m -64.4 -45.58 87.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.006 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.32 -38.53 87.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.413 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttm -61.61 -42.6 99.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.86 70.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.457 ' O ' HG21 ' B' ' 41' ' ' VAL . 72.5 mt -61.96 -39.0 90.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.2 -52.64 50.25 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -67.3 -28.32 67.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.561 0.219 . . . . 0.0 110.488 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.4 -55.69 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.51 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.457 HG21 ' O ' ' B' ' 37' ' ' LEU . 61.6 t -57.33 -44.82 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -66.65 -35.93 81.35 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.791 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -68.94 -32.2 71.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.31 -44.16 84.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.006 0.431 . . . . 0.0 109.921 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.36 -44.09 95.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.564 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.472 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 6.3 mt-10 -74.93 0.39 15.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -107.48 -58.07 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.623 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.66 -44.28 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.184 0.516 . . . . 0.0 110.567 -173.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.75 133.99 51.23 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.686 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 50.3 Cg_exo -56.85 148.26 67.95 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.898 2.399 . . . . 0.0 112.364 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -45.14 -50.17 11.45 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -29.3 39.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 111.04 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.4 ' O ' HG22 ' B' ' 57' ' ' VAL . 14.5 m -71.04 -31.42 67.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.431 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.6 mtt180 -53.56 -42.12 67.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.214 0.531 . . . . 0.0 110.762 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.614 ' NE2' HG11 ' A' ' 69' ' ' VAL . 42.7 mm-40 -63.51 -44.32 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.516 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.26 90.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.808 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 53' ' ' SER . 67.2 t -63.01 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.49 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.923 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.77 -50.27 74.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 109.785 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -66.86 -37.68 84.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.98 -47.95 78.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.475 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.83 ' HB1' ' HB2' ' A' ' 62' ' ' ALA . . . -59.11 -40.46 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.381 0.61 . . . . 0.0 110.371 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . 27.4 ttmt -62.0 -51.75 66.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.598 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 69' ' ' VAL . 11.2 tp -59.37 -58.05 10.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.281 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.58 78.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.249 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -62.82 -40.17 96.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -67.15 -33.99 76.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.581 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.488 HG12 ' HG2' ' A' ' 54' ' ' ARG . 96.9 t -65.59 -50.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -21.99 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.177 -177.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 176.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -62.73 -35.44 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.035 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 t -81.16 -23.95 37.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.294 -177.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.94 -61.57 2.48 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.66 -38.91 67.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.866 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 10' ' ' THR . 31.5 tt0 -52.45 -56.38 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.386 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.2 p -59.63 -36.57 76.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.641 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 19' ' ' ILE . 6.4 mp -69.65 -52.15 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.907 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 HG22 ' SG ' ' B' ' 40' ' ' CYS . 78.2 mt -56.96 -45.96 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.868 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.518 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -58.28 -45.54 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.293 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' OE2' HG11 ' B' ' 22' ' ' VAL . 35.7 tt0 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.782 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 15' ' ' LEU . 3.3 pt -70.75 -36.56 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 111.387 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.93 -43.45 95.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.411 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 17' ' ' ALA . 74.6 t -61.33 -38.41 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.44 -48.5 82.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.187 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD13 HD21 ' A' ' 37' ' ' LEU . 66.6 mt -59.23 -44.17 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.682 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.61 -32.38 60.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.849 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HE2' HG11 ' A' ' 21' ' ' VAL . 50.7 mtmt -67.74 -38.46 83.54 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 122.208 -0.308 . . . . 0.0 111.032 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -79.4 -14.76 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 tttp 52.33 62.89 2.47 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.806 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 123.62 89.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.405 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.89 168.52 3.31 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.885 2.39 . . . . 0.0 112.281 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -52.85 -51.51 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.853 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.73 -41.74 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.762 0.315 . . . . 0.0 111.008 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.52 -44.88 95.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' HD22 ' A' ' 37' ' ' LEU . 13.6 p -66.14 -46.8 76.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.905 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.14 -46.24 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.598 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttp -63.26 -44.58 94.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.28 73.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.652 0.263 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.6 mm? -62.17 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.802 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.21 58.63 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.397 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -60.58 -38.91 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.503 0.192 . . . . 0.0 110.511 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.2 t -62.18 -50.57 71.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.004 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 37' ' ' LEU . 85.7 t -60.86 -44.02 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -68.56 -30.48 69.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.265 0.555 . . . . 0.0 110.066 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -71.16 -28.73 64.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.56 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.0 mt -64.76 -39.13 93.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.251 0.548 . . . . 0.0 110.102 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.434 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 73.3 mt -63.04 -32.59 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.261 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.17 -20.12 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.311 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -94.46 -47.62 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -116.13 -17.15 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.95 129.31 25.05 Favored Pre-proline 0 C--N 1.319 -0.732 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.817 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.441 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.4 Cg_exo -62.73 147.53 94.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.563 2.175 . . . . 0.0 111.064 171.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.505 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m -58.97 -33.02 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -172.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.53 -35.33 77.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.252 0.549 . . . . 0.0 110.855 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -93.4 -17.96 22.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.331 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 51' ' ' SER . 94.2 mtt180 -55.11 -41.36 71.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -49.06 47.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.65 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.488 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.36 -47.88 90.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.554 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.87 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.48 -48.13 73.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.106 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.29 -35.08 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -56.95 -49.62 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.841 ' HB2' ' HB3' ' B' ' 62' ' ' ALA . . . -59.05 -43.26 91.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.159 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 19.1 ttmt -68.08 -29.47 68.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.104 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.72 95.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.668 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 69' ' ' VAL . 14.5 mt -63.69 -40.71 97.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.0 91.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.869 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 60.0 mm-40 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.2 m -65.2 -42.87 93.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.323 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 65' ' ' LEU . 48.2 t -61.21 -45.72 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.132 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 178.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.04 -39.46 82.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 0.0 110.203 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -59.41 -42.9 92.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -62.54 -52.86 61.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.15 -44.4 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.27 -50.39 74.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.9 p -67.31 -37.51 83.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.841 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.564 ' O ' HG13 ' B' ' 19' ' ' ILE . 49.2 tp -60.36 -51.86 67.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.469 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.2 -43.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.298 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.524 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -60.46 -38.79 85.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.252 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.62 -46.94 85.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.706 0.288 . . . . 0.0 110.928 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.564 HG13 ' O ' ' B' ' 15' ' ' LEU . 10.7 mt -61.12 -39.41 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.231 0.539 . . . . 0.0 109.884 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.28 -41.86 93.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.524 HG22 ' O ' ' B' ' 17' ' ' ALA . 53.0 t -57.54 -40.65 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.427 HG11 ' OE2' ' A' ' 18' ' ' GLU . 88.8 t -61.01 -44.57 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.555 HD12 HD22 ' B' ' 37' ' ' LEU . 73.9 mt -71.83 -36.72 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.51 -40.44 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.732 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.79 -31.9 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.555 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.445 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 57.5 m170 -84.06 -27.05 28.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.215 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.34 37.32 28.02 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.26 0.552 . . . . 0.0 110.065 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.53 135.22 90.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.443 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.76 174.67 10.75 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.616 2.211 . . . . 0.0 111.223 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -56.2 -39.82 73.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.195 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.87 -55.28 34.42 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.338 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' ' 15' ' ' LEU . 32.9 tp -77.37 -33.22 55.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.568 -170.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.442 ' O ' HD23 ' B' ' 37' ' ' LEU . 12.0 p -66.14 -57.01 8.61 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.06 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.64 -37.78 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -61.02 -52.52 64.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.75 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.88 69.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.555 HD22 HD12 ' B' ' 23' ' ' LEU . 4.6 mm? -59.24 -45.34 91.43 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.93 -44.99 94.22 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.146 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -38.72 90.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.72 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.514 ' SG ' HG22 ' A' ' 16' ' ' ILE . 75.0 m -61.84 -48.02 82.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.472 0.177 . . . . 0.0 111.472 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.439 HG22 ' O ' ' B' ' 37' ' ' LEU . 62.1 t -58.93 -46.95 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.676 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.483 ' HA ' HD13 ' B' ' 45' ' ' LEU . 1.3 m -73.41 -24.07 60.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.537 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 24.3 t60 -73.09 -36.7 66.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.722 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.77 -22.84 62.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.712 0.292 . . . . 0.0 110.633 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' B' ' 42' ' ' THR . 89.8 mt -61.96 -38.66 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.998 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 25.4 mt-10 -65.49 -30.0 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 0.0 110.516 178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' B' ' 43' ' ' HIS . 3.8 mmt180 -87.64 -53.36 4.82 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.071 -168.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -100.63 -8.41 22.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 29.9 t -121.85 132.87 24.15 Favored Pre-proline 0 C--N 1.321 -0.659 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.613 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.516 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 25.2 Cg_exo -62.73 147.59 94.51 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.748 2.298 . . . . 0.0 111.02 173.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -51.57 -42.69 62.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.21 -25.14 68.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 111.591 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m -102.06 -12.58 18.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.641 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.6 mtt180 -58.51 -48.05 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.9 -36.11 79.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.314 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.22 75.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.842 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -38.98 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.4 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.873 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.82 -42.42 97.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.86 -40.71 83.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.914 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.89 -39.05 87.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -66.44 -42.38 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -61.12 -47.47 86.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.08 90.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.72 -60.42 3.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.527 0.68 . . . . 0.0 110.472 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.624 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 50.7 tt0 -79.92 -22.49 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.642 0.258 . . . . 0.0 110.564 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -64.76 -40.82 95.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.63 -41.19 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.297 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.624 ' HB2' ' HA ' ' B' ' 67' ' ' GLN . 58.1 mttp -60.17 -23.93 64.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.191 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 -179.201 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.238 0.452 0 CA-C-O 121.025 0.44 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -52.43 -44.37 65.42 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.79 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.2 m -56.84 -45.92 82.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -63.89 -44.8 91.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.85 -42.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.39 -43.26 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -58.69 -46.29 87.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.261 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.23 -48.28 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.735 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.41 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -62.17 -40.09 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' HG21 ' A' ' 22' ' ' VAL . 43.0 mt-10 -68.7 -44.8 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.326 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -65.86 -31.4 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.61 0.243 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.54 -42.9 73.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 110.46 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 17' ' ' ALA . 70.0 t -59.71 -38.72 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.366 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 18' ' ' GLU . 78.1 t -58.71 -48.61 85.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.495 175.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -54.9 -49.29 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -34.27 77.39 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HE3' HG13 ' A' ' 21' ' ' VAL . 96.3 mttt -63.03 -36.25 82.93 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.242 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -88.52 -15.87 34.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.142 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 50.17 80.49 0.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.619 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.21 135.93 19.26 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.173 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.9 166.49 20.34 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.66 2.24 . . . . 0.0 111.551 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -55.78 -46.77 77.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.096 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.4 -43.89 75.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.972 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' B' ' 12' ' ' VAL . 36.4 tp -73.72 -43.03 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.975 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' HD21 ' A' ' 37' ' ' LEU . 18.4 p -62.48 -46.68 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.424 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.52 -36.55 84.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 tpp -62.02 -49.93 74.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.4 88.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 41' ' ' VAL . 4.1 mm? -61.19 -45.92 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.421 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.97 94.8 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.709 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -70.4 -28.65 65.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.684 0.278 . . . . 0.0 110.746 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.22 -45.83 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.694 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG22 ' HB3' ' B' ' 37' ' ' LEU . 54.5 t -63.01 -42.42 96.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.089 0.471 . . . . 0.0 110.143 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.3 m -64.09 -39.3 93.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.563 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.13 -34.93 70.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.26 -45.17 61.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.815 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 69.6 mt -58.94 -53.38 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.19 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 3.3 tp10 -69.43 -20.64 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.903 -172.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -107.48 -52.25 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -93.55 -7.88 42.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.858 0.361 . . . . 0.0 111.402 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t -111.46 133.32 21.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.65 0.262 . . . . 0.0 110.835 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 77.3 Cg_exo -50.62 145.44 22.76 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.127 2.551 . . . . 0.0 112.671 177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 m -52.66 -45.07 66.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.907 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -24.53 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -175.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 m -94.15 -15.77 24.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.789 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 91.6 mtt180 -55.8 -39.08 70.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.47 0.176 . . . . 0.0 111.243 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 55' ' ' GLN . 22.2 mt-30 -71.97 -51.66 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.77 98.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.96 -175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.82 -38.43 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.2 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.35 -46.16 89.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.684 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.36 -38.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.666 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.19 -43.44 95.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.052 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.41 89.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.496 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.96 -51.39 64.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.975 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.228 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.03 -51.54 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.098 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.675 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -61.02 -45.38 95.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -57.73 -42.87 84.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.332 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -62.14 -41.61 98.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' B' ' 54' ' ' ARG . 92.3 t -73.09 -40.62 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.375 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.675 ' HE2' ' HB1' ' A' ' 66' ' ' ALA . 61.3 mttm . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.485 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 35.8 t . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.74 -32.56 71.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.21 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -74.8 -36.02 62.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.663 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 58.2 tp60 -59.03 -51.85 68.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 32' ' ' LEU . 46.4 t -61.03 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.34 -42.63 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.434 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.4 m -63.9 -36.05 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.02 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.547 ' O ' HG13 ' B' ' 19' ' ' ILE . 6.4 mp -62.06 -41.32 98.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.675 0.274 . . . . 0.0 110.727 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 12' ' ' VAL . 67.4 mt -59.14 -45.96 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.075 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.575 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -60.4 -35.02 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.154 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 14' ' ' SER . 9.1 mm-40 -59.75 -48.38 81.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.325 0.583 . . . . 0.0 110.61 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 15' ' ' LEU . 2.1 mt -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.018 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.41 -41.08 96.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.575 HG21 ' O ' ' B' ' 17' ' ' ALA . 71.5 t -55.87 -46.14 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.23 -42.25 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.557 HD12 HD21 ' B' ' 37' ' ' LEU . 97.5 mt -62.37 -41.36 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.26 -23.69 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.584 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.504 ' HE2' HG12 ' B' ' 21' ' ' VAL . 68.7 mttm -61.68 -40.75 96.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.664 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -99.25 3.44 46.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.183 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 tptt 57.86 37.09 26.88 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.587 0.555 . . . . 0.0 110.591 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.05 116.55 14.97 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.288 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.56 176.81 4.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.243 2.629 . . . . 0.0 111.806 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 m -48.16 -56.03 8.89 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -60.1 -47.6 85.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.534 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.54 -34.01 76.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.703 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.451 ' O ' HD22 ' B' ' 37' ' ' LEU . 50.0 m -63.37 -53.65 49.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.964 0.412 . . . . 0.0 109.966 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.33 -36.85 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.119 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.9 ttm -62.5 -55.9 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.17 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.36 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.581 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.4 mm? -63.17 -45.22 92.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.37 94.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.295 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -63.05 -38.99 93.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.676 0.274 . . . . 0.0 110.27 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.404 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 45.7 t -60.13 -53.92 52.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 37' ' ' LEU . 97.7 t -54.85 -47.61 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -62.42 -40.07 95.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.39 -29.67 62.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 74.0 mt -63.54 -48.73 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.552 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.3 mt -58.42 -31.83 68.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.478 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.66 -45.3 37.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.719 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -26.44 26.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -112.02 -40.82 4.12 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.559 -0.457 . . . . 0.0 112.133 -173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.413 HG21 HD21 ' B' ' 45' ' ' LEU . 41.7 t -93.5 135.85 24.85 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.352 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.6 149.22 83.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.79 2.327 . . . . 0.0 111.785 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -54.06 -36.52 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.18 -43.67 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -88.99 -14.52 36.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.442 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.1 ttm180 -55.91 -47.26 77.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.385 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 27.3 tt0 -73.34 -42.16 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.742 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.21 77.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.6 t -70.33 -34.58 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.12 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.124 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 38.2 mm-40 -59.51 -46.06 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.197 0.522 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.95 -43.02 97.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.52 -44.3 97.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.464 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.32 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.718 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -69.45 -38.98 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.95 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.192 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.61 -45.78 92.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.98 90.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.53 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -67.24 -39.33 86.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.263 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -64.06 -29.86 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.63 -49.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.604 . . . . 0.0 110.668 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' B' ' 70' ' ' LYS . 35.8 ttpt -60.78 -36.43 78.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.972 -174.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 111.059 -177.503 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -55.97 -35.95 67.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 110.093 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -62.54 -45.52 92.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.173 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.42 -47.05 83.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.329 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.509 HG22 HD13 ' B' ' 32' ' ' LEU . 62.1 t -66.45 -50.16 69.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.805 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.39 -41.67 94.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.618 0.247 . . . . 0.0 111.016 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 23.3 t -63.8 -39.56 94.55 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' HG12 ' A' ' 19' ' ' ILE . 33.0 tp -65.23 -43.07 92.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.549 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.7 mt -58.38 -43.8 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.145 0.498 . . . . 0.0 109.819 175.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.803 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 14' ' ' SER . 21.2 mm-40 -54.94 -48.4 73.21 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.316 0.385 . . . . 0.0 110.473 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 15' ' ' LEU . 4.9 mm -62.4 -42.6 96.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.019 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.45 -35.85 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.985 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 17' ' ' ALA . 74.8 t -61.84 -40.59 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.614 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.82 -50.48 79.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.072 0.463 . . . . 0.0 110.228 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.639 HD11 HD23 ' A' ' 37' ' ' LEU . 76.8 mt -56.46 -49.3 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.356 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.75 -36.51 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.285 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HE2' HG12 ' A' ' 21' ' ' VAL . 64.7 mttm -60.11 -33.95 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.712 0.291 . . . . 0.0 111.428 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.44 -11.14 52.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt 58.53 29.25 18.14 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.637 0.586 . . . . 0.0 110.07 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -66.59 133.0 94.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.916 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 24.9 Cg_exo -63.57 160.53 35.64 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.675 2.25 . . . . 0.0 110.879 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.666 HG22 HG21 ' B' ' 49' ' ' VAL . 2.1 m -57.72 -35.4 70.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.637 0.256 . . . . 0.0 111.353 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.2 -53.5 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -72.71 -31.22 64.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -62.25 -52.02 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.409 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.94 -36.99 83.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.451 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.2 ttm -60.74 -48.63 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -47.02 74.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.639 HD23 HD11 ' A' ' 23' ' ' LEU . 4.1 mm? -60.56 -46.33 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.35 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.61 89.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.399 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.018 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.91 -47.87 84.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 111.355 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' B' ' 37' ' ' LEU . 60.5 t -57.9 -48.24 84.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -73.96 -29.31 61.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.988 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -69.17 -40.74 77.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.264 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD12 HD11 ' B' ' 23' ' ' LEU . 95.9 mt -68.72 -41.03 79.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 176.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -60.98 -42.68 98.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.663 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.2 -45.19 81.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.237 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -87.24 -5.71 58.84 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.915 -170.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 18.8 tptm -118.37 -34.74 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.874 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.77 127.07 28.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.727 0.299 . . . . 0.0 110.943 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.87 151.8 74.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -49.29 -38.83 28.66 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.62 0.575 . . . . 0.0 112.335 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -56.72 -54.96 40.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.928 0.395 . . . . 0.0 111.585 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 m -89.29 -3.88 58.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.953 0.406 . . . . 0.0 111.068 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HG3' HD23 ' A' ' 45' ' ' LEU . 39.2 ttm180 -64.8 -42.25 95.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -68.6 -32.95 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.749 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.72 71.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.489 ' HB ' HD21 ' A' ' 45' ' ' LEU . 67.9 t -62.95 -39.37 84.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.471 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.53 90.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.623 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.7 mm-40 -58.43 -48.24 81.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.063 176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.02 -43.57 98.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.57 -46.1 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.382 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.98 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.247 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 62.8 mttp -61.88 -48.03 82.31 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.713 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.97 81.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.424 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.91 -54.62 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -63.26 -43.38 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.094 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -55.57 -40.15 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -64.51 -52.22 58.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.483 HG13 ' HG2' ' B' ' 55' ' ' GLN . 46.9 t -61.59 -33.44 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.899 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 28.0 mtpp . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.29 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.615 0.245 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -58.6 -27.29 64.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.2 m -56.45 -45.4 80.85 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.47 -36.26 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.528 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.81 -47.95 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.404 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.34 -49.51 75.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.385 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -59.59 -46.74 88.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.579 ' O ' HG13 ' B' ' 19' ' ' ILE . 0.5 OUTLIER -56.62 -51.9 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.16 -178.277 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.39 -48.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.559 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.55 -44.75 93.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.482 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.14 -39.86 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.29 . . . . 0.0 111.04 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.579 HG13 ' O ' ' B' ' 15' ' ' LEU . 50.7 mt -65.04 -42.98 96.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.06 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 17' ' ' ALA . 61.6 t -60.49 -45.63 96.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 18' ' ' GLU . 75.9 t -61.13 -49.3 85.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.448 0.166 . . . . 0.0 111.446 -178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.674 HD13 HD21 ' B' ' 37' ' ' LEU . 71.8 mt -50.39 -53.31 30.16 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.71 -32.01 67.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 -175.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.15 -37.98 87.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.63 -9.64 59.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 59.72 67.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.791 0.805 . . . . 0.0 109.581 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.91 118.96 65.53 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.085 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.71 161.89 11.65 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.449 2.1 . . . . 0.0 111.091 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -57.62 -36.95 72.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.621 0.248 . . . . 0.0 110.583 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.63 -50.49 72.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.287 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.509 HD13 HG22 ' A' ' 12' ' ' VAL . 25.1 tp -72.66 -31.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.648 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.411 ' O ' HD22 ' B' ' 37' ' ' LEU . 49.8 m -62.76 -53.81 48.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.311 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -35.05 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttm -63.51 -49.76 72.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.772 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.96 38.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.674 HD21 HD13 ' B' ' 23' ' ' LEU . 4.6 mm? -54.61 -46.3 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.481 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.67 -49.96 72.04 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.671 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -65.33 -36.97 85.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.605 0.241 . . . . 0.0 110.704 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.587 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 42.1 t -60.8 -51.07 70.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.716 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 37' ' ' LEU . 94.8 t -59.74 -44.31 93.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -39.28 88.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 110.513 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.54 -34.75 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.786 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.2 mt -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.316 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.802 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 58.8 mt -66.89 -44.0 81.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.742 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.74 -41.76 95.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.511 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.16 -33.76 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -113.76 -0.45 14.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.965 -170.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.666 HG21 HG22 ' A' ' 30' ' ' THR . 41.5 t -123.78 134.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.27 . . . . 0.0 111.135 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.74 141.65 91.25 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.601 2.201 . . . . 0.0 111.238 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -52.04 -37.93 55.29 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.87 -51.64 57.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -71.01 -26.38 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.321 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.802 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 41.0 ttm180 -51.15 -49.84 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.589 0.756 . . . . 0.0 111.614 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.483 ' HG2' HG13 ' A' ' 69' ' ' VAL . 91.6 mt-30 -77.64 -27.62 51.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.28 62.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -71.49 -26.69 26.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.465 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.854 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.532 ' O ' ' HD3' ' B' ' 63' ' ' LYS . 51.6 mm-40 -62.12 -55.19 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.055 174.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.41 -45.64 93.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.636 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.54 -45.01 94.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.014 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.69 99.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.018 0.437 . . . . 0.0 110.749 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' B' ' 59' ' ' GLU . 0.6 OUTLIER -61.99 -47.46 84.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 176.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.86 90.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.528 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.53 -42.78 99.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -58.35 -41.42 84.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.983 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.6 t -61.86 -50.16 73.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.713 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.7 -38.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -66.62 -22.9 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.885 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.854 178.351 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -31.46 68.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -58.73 -38.51 78.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -70.3 -46.94 63.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.241 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 16' ' ' ILE . 38.8 t -58.97 -47.7 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.212 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.52 -42.26 96.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.675 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 12.5 p -70.07 -35.12 73.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.857 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 19' ' ' ILE . 4.7 mp -61.45 -43.91 98.04 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 12' ' ' VAL . 80.9 mt -57.32 -43.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.133 176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -60.79 -39.29 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.051 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' SER . 17.9 mm-40 -56.72 -48.18 78.33 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.268 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.764 HG22 HG23 ' B' ' 19' ' ' ILE . 9.1 mt -68.53 -34.4 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.445 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -63.3 -38.54 91.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.425 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 17' ' ' ALA . 93.9 t -60.14 -39.87 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' B' ' 22' ' ' VAL . 47.1 t -61.46 -53.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.731 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 37' ' ' LEU . 98.4 mt -53.24 -48.64 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.807 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.78 -28.14 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.5 -37.75 70.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.032 0.444 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -102.81 -0.99 30.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.1 tttp 52.27 56.79 7.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.788 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 124.53 90.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.696 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.91 173.06 5.17 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.618 2.212 . . . . 0.0 111.782 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -58.25 -41.08 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.635 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.66 -51.14 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -73.17 -36.77 66.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.445 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -66.35 -47.39 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.817 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.61 -41.25 89.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.994 0.426 . . . . 0.0 110.336 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 ttm -63.59 -50.7 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.995 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.47 76.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' LEU . 4.0 mm? -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.68 55.52 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.735 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 89.3 m-20 -62.23 -33.03 73.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.29 . . . . 0.0 111.331 -177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.738 ' HA ' ' HD1' ' A' ' 43' ' ' HIS . 73.4 m -68.63 -50.03 54.51 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.485 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.595 HG21 ' HB3' ' B' ' 37' ' ' LEU . 79.0 t -57.75 -45.2 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.568 0.543 . . . . 0.0 110.597 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 11.4 m -63.55 -44.55 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.299 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.738 ' HD1' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -70.0 -31.27 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.691 -173.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 3.5 pp -85.93 -19.43 30.5 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.469 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 9.9 tt -69.34 -36.79 77.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 42' ' ' THR . 37.9 mt-10 -75.36 -36.29 60.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.025 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -84.8 -44.98 12.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -170.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -90.34 -20.63 22.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.449 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.625 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 55.8 t -110.38 131.03 22.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.502 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 18.9 Cg_endo -60.59 154.89 51.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.959 2.439 . . . . 0.0 112.09 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 m -54.54 -42.82 71.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.928 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.75 -32.67 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.004 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -97.08 -7.77 31.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 94.1 mtt180 -59.36 -49.43 77.84 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.553 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.29 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -71.75 -24.15 22.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.9 82.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.929 0.395 . . . . 0.0 110.331 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.91 -42.99 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.425 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.78 -49.66 76.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.609 0.242 . . . . 0.0 110.489 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.59 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.457 . . . . 0.0 110.144 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.0 -52.49 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.369 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.12 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.911 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' ' 69' ' ' VAL . 15.2 tp -61.93 -57.65 10.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.254 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 70' ' ' LYS . . . -58.34 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -65.53 -44.69 86.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -71.75 -18.96 62.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.096 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 65' ' ' LEU . 53.7 t -75.76 -44.09 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.595 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 26.8 pttt . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.599 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 31.1 t . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -55.81 -45.56 78.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.383 0.427 . . . . 0.0 110.03 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.82 -37.64 88.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -62.49 -48.81 77.96 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.515 0.197 . . . . 0.0 110.774 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.4 -44.11 77.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.77 -52.03 67.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.464 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -67.31 -26.58 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.929 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.602 ' O ' HG13 ' B' ' 19' ' ' ILE . 59.4 tp -68.47 -51.19 46.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.501 HG21 ' SG ' ' A' ' 40' ' ' CYS . 86.7 mt -54.06 -44.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.695 177.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.8 -41.73 98.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.458 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.65 -39.57 91.54 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.223 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.764 HG23 HG22 ' A' ' 19' ' ' ILE . 53.0 mt -62.88 -39.81 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.114 177.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.668 HD21 ' CE1' ' A' ' 43' ' ' HIS . 94.4 mt -63.28 -39.97 96.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.99 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.4 t -55.36 -47.56 77.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 22' ' ' VAL . 69.0 t -58.38 -52.57 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.297 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.489 HD13 HD23 ' B' ' 37' ' ' LEU . 96.1 mt -50.1 -48.47 53.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.105 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.67 -22.58 50.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.631 0.253 . . . . 0.0 111.182 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 52.3 mtpt -64.54 -27.71 69.15 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.872 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -99.2 -4.19 32.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.956 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 54.94 65.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.418 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -88.26 128.89 51.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.128 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 15.8 Cg_exo -67.59 173.27 9.16 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.714 2.276 . . . . 0.0 111.568 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.8 m -60.65 -38.22 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.646 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -54.86 22.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.926 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 28.8 tp -59.08 -37.04 76.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.489 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' HD21 ' B' ' 37' ' ' LEU . 6.0 p -67.87 -44.5 76.91 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.875 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.76 -40.06 86.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.664 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.1 mtp -68.07 -53.11 28.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.46 85.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 41' ' ' VAL . 4.5 mm? -66.88 -43.37 83.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.414 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.06 50.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.598 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.13 -27.02 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.584 0.23 . . . . 0.0 110.916 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.485 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 48.8 t -64.61 -44.48 90.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.1 t -60.92 -44.64 98.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.436 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -42.0 97.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 177.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.49 -30.82 71.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 93.8 mt -67.94 -41.53 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.48 -52.03 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.913 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.741 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 7.4 pt-20 -64.05 -29.58 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.662 ' HE ' ' HA ' ' B' ' 47' ' ' ARG . 1.6 mmp_? -100.15 -6.07 26.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -117.25 -39.04 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' B' ' 53' ' ' SER . 21.3 t -110.55 140.28 22.4 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.547 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 74.3 Cg_exo -51.64 152.94 11.81 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.056 2.504 . . . . 0.0 112.526 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.493 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 50.4 m -50.19 -56.54 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.01 -28.99 61.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.279 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.474 ' HB2' HG11 ' B' ' 49' ' ' VAL . 7.1 m -71.71 -24.87 61.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.741 ' NE ' ' HA ' ' B' ' 46' ' ' GLU . 78.3 mtt180 -55.24 -37.71 67.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -61.3 -42.15 98.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.964 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.69 83.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.48 -38.74 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.69 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.28 -44.68 94.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.013 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 2.1 mp0 -66.22 -37.97 86.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.865 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -63.45 -45.99 88.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.84 79.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.796 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' B' ' 60' ' ' GLN . 22.7 mtpp -61.11 -50.15 74.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.961 175.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.13 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.082 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.403 ' O ' HG22 ' B' ' 69' ' ' VAL . 11.7 tp -64.65 -47.06 79.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.991 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.42 88.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.678 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.72 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -36.32 74.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.085 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 65' ' ' LEU . 73.1 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.019 0.438 . . . . 0.0 110.38 174.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.94 -10.14 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.284 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.214 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 35.4 t . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.24 -50.46 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.675 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -67.19 -22.16 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.607 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 42.7 tt0 -66.02 -56.93 9.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG22 HD12 ' B' ' 32' ' ' LEU . 47.1 t -59.58 -38.82 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.788 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -53.86 -49.32 68.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.919 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 m -61.72 -38.68 88.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.02 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' HG13 ' A' ' 19' ' ' ILE . 10.9 mp -62.39 -56.89 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.247 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 HG12 ' HA ' ' B' ' 36' ' ' ALA . 67.3 mt -56.28 -42.96 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -58.38 -46.97 85.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.667 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -72.64 -31.18 64.92 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.13 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.728 HG21 HG22 ' B' ' 19' ' ' ILE . 59.3 mt -63.27 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.632 0.729 . . . . 0.0 109.242 174.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 84.2 mt -62.33 -39.86 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.041 172.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 17' ' ' ALA . 89.7 t -63.73 -27.18 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' B' ' 22' ' ' VAL . 87.0 t -61.72 -53.95 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 109.703 172.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -56.39 -46.12 80.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.114 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.9 mm-40 -61.69 -40.71 95.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.555 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -55.37 -45.04 76.55 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -88.76 -11.25 45.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.819 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 4.9 ttmp? 54.64 70.29 0.63 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.493 0.663 . . . . 0.0 109.875 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -91.09 132.28 34.69 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 27.5 Cg_exo -63.07 170.24 7.91 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.604 2.203 . . . . 0.0 111.76 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -46.85 73.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.535 -176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.9 -51.54 67.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.71 -38.4 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.724 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' HD22 ' A' ' 37' ' ' LEU . 54.4 m -64.7 -53.65 43.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.95 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.32 -39.75 88.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.757 0.313 . . . . 0.0 111.062 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 ttm -63.14 -45.82 90.12 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.23 71.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 23' ' ' LEU . 4.3 mm? -58.9 -45.2 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.518 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.43 87.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.708 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.571 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 34.0 m-80 -65.75 -33.01 74.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 111.104 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' B' ' 16' ' ' ILE . 79.8 m -66.05 -31.3 72.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.837 -0.165 . . . . 0.0 110.752 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' HB ' HD11 ' B' ' 65' ' ' LEU . 48.5 t -71.78 -51.68 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.694 0.283 . . . . 0.0 110.585 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 p -66.93 -40.82 87.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.632 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -60.88 -20.39 61.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.044 -178.04 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 65.1 mt -85.72 -41.48 15.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 109.97 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 60.9 mt -60.48 -53.93 51.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 2.9 mp0 -63.25 -21.11 66.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.197 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 7.4 tpt180 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -173.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -106.09 -38.04 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.22 129.89 24.33 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 120.588 0.233 . . . . 0.0 111.578 -168.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.23 143.22 85.93 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.806 2.337 . . . . 0.0 111.376 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.7 m -52.21 -33.96 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -172.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -72.0 -46.51 56.96 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.448 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -74.21 -25.69 59.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.029 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 35.7 ttm180 -57.73 -34.39 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.67 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 51' ' ' SER . 65.3 mt-30 -63.78 -43.93 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.356 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.22 82.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.811 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.88 -41.29 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.354 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.78 99.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -58.15 -48.43 80.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.588 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.3 -34.15 67.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.344 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.48 -51.41 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.424 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -31.72 72.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.303 0.573 . . . . 0.0 110.402 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HB2' ' HZ1' ' A' ' 63' ' ' LYS . 2.2 ttmp? -66.99 -44.55 80.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.31 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.76 81.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.61 -55.96 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.053 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.49 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.23 -41.3 88.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.505 ' HB2' HG23 ' B' ' 42' ' ' THR . 18.4 m -66.58 -33.87 76.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.12 0.486 . . . . 0.0 110.463 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.07 -40.64 78.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.162 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.87 -47.5 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.423 . . . . 0.0 110.329 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.3 m -60.15 -41.37 92.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.452 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.75 -51.86 64.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.325 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.42 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.49 -20.11 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.543 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -78.05 -36.03 48.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.562 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.8 tp -60.33 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.5 mt -56.21 -41.77 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.79 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.59 -45.17 81.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.609 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.56 -39.68 94.19 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.728 HG22 HG21 ' A' ' 19' ' ' ILE . 29.4 mt -60.04 -40.75 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.251 0.548 . . . . 0.0 109.776 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 46.7 mt -67.62 -40.11 84.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.773 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 17' ' ' ALA . 94.9 t -57.91 -42.02 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.527 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 22' ' ' VAL . 70.0 t -62.19 -49.98 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.655 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.35 -48.11 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.034 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.37 -44.96 92.66 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.887 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -65.25 -27.65 68.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 111.602 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -90.72 -4.34 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.547 ' HZ2' ' HB3' ' B' ' 27' ' ' LYS . 9.5 mtpm? 54.1 39.56 30.77 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.64 0.587 . . . . 0.0 110.527 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.62 121.73 85.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.063 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.52 171.94 14.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.688 2.258 . . . . 0.0 111.721 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -56.53 -43.71 80.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.06 -49.18 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.555 0.217 . . . . 0.0 110.791 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -62.53 -41.52 98.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.462 ' O ' HD21 ' B' ' 37' ' ' LEU . 35.1 p -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.044 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.74 -40.51 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 84.0 mtp -63.94 -41.97 97.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.733 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.516 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -68.42 -50.7 50.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.285 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.462 HD21 ' O ' ' B' ' 33' ' ' SER . 4.0 mm? -58.08 -43.27 86.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.265 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.79 71.24 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.842 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.407 ' HB2' HD13 ' A' ' 16' ' ' ILE . 40.9 m-80 -71.07 -29.3 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.738 -0.271 . . . . 0.0 110.923 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.486 ' SG ' HD11 ' A' ' 37' ' ' LEU . 42.4 t -63.83 -49.97 70.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.414 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.461 HG21 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -61.22 -47.24 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.619 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 68' ' ' SER . 9.2 m -62.97 -36.43 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.356 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -69.59 -26.19 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.961 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 96.3 mt -65.8 -37.56 86.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.36 -37.5 87.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.568 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.52 -33.89 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -95.11 -42.11 8.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -106.75 -6.31 17.89 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -171.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.79 132.61 24.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 0.0 111.408 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.616 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.81 153.79 41.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.993 2.462 . . . . 0.0 111.919 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 17.5 m -53.54 -47.92 69.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -32.92 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.387 . . . . 0.0 111.011 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.415 ' HB3' ' HG2' ' B' ' 50' ' ' PRO . 28.2 t -74.22 -17.81 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 -177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.4 mtt180 -60.33 -38.86 85.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.11 -41.76 85.69 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.474 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.017 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 53' ' ' SER . 49.9 t -68.11 -37.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.73 84.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.731 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.08 -45.8 91.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.21 -48.21 81.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.67 -44.5 96.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.329 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.23 89.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.22 -38.28 60.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.971 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.385 0.612 . . . . 0.0 109.978 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.467 HD11 ' HB ' ' A' ' 41' ' ' VAL . 14.4 tp -65.45 -51.27 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.971 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.9 82.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -62.03 -38.17 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -67.86 -30.5 69.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.28 -42.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 109.957 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.447 ' HZ1' ' HB3' ' B' ' 70' ' ' LYS . 9.9 mtpm? -67.17 -12.27 59.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.506 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.812 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 29.5 t . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.19 -32.03 73.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -67.21 -38.13 84.77 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.49 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 6.0 tp-100 -60.61 -53.47 57.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.212 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 16' ' ' ILE . 60.7 t -57.05 -48.96 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.969 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.38 -45.48 84.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.025 0.44 . . . . 0.0 110.841 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.2 m -65.42 -39.63 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 19' ' ' ILE . 38.8 tp -62.12 -47.11 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.003 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 12' ' ' VAL . 38.4 mm -55.36 -49.85 69.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 110.478 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.569 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.28 -40.67 90.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.648 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG23 HG21 ' B' ' 19' ' ' ILE . 69.8 mt -62.76 -42.25 95.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.28 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.3 mt -65.69 -33.94 77.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.617 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 17' ' ' ALA . 66.0 t -62.05 -33.46 58.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.471 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.619 HG21 HG21 ' B' ' 22' ' ' VAL . 63.9 t -64.29 -51.56 66.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.921 176.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 33' ' ' SER . 96.1 mt -55.41 -43.98 75.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.22 -33.23 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.51 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.149 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -92.02 -6.74 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.48 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.32 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.191 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.62 127.23 27.18 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.862 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.8 162.22 19.29 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.443 2.095 . . . . 0.0 111.467 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.5 m -51.91 -39.44 59.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.467 . . . . 0.0 110.614 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.78 -52.93 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.532 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.847 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.415 ' HB3' HD11 ' A' ' 23' ' ' LEU . 58.0 m -64.2 -45.5 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.664 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.2 mt -58.43 -39.77 80.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.293 176.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.84 -57.75 10.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 111.18 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.608 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -74.78 -28.3 60.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.06 -176.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' HD21 ' A' ' 37' ' ' LEU . . . -66.09 -49.47 57.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.471 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -66.87 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.434 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 -50.38 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.173 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' B' ' 37' ' ' LEU . 61.2 t -52.11 -53.71 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.308 177.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -39.09 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.076 0.465 . . . . 0.0 111.005 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -67.79 -24.23 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.46 -40.51 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.36 . . . . 0.0 110.145 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.04 -38.61 91.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.251 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.84 -21.57 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.003 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 9.0 ptp180 -105.76 -50.22 3.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 50.8 mttp -90.69 -10.65 42.32 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -172.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 t -123.79 133.22 24.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.424 . . . . 0.0 111.465 -174.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 37.5 Cg_exo -61.69 148.26 93.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.695 2.263 . . . . 0.0 111.12 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -54.5 -42.1 70.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 0.0 111.364 -175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.6 mp0 -58.92 -33.56 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.544 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 m -93.19 -23.3 18.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.672 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.7 mtt180 -54.55 -47.78 72.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' HG3' ' HG2' ' B' ' 70' ' ' LYS . 46.5 tt0 -62.14 -40.95 97.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.973 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.91 88.06 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.95 -40.1 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.703 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' B' ' 69' ' ' VAL . . . -58.25 -50.25 74.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.396 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -58.4 -43.2 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.97 -39.98 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.414 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.2 -42.82 99.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.711 0.291 . . . . 0.0 110.253 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' B' ' 62' ' ' ALA . . . -58.88 -43.54 90.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.32 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 32.2 ttmt -60.68 -51.96 67.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.567 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.95 99.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.565 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.77 -49.18 78.63 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.366 0.603 . . . . 0.0 110.144 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.82 91.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 13.9 mm100 -66.47 -34.11 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.167 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 t -62.51 -34.4 76.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.7 t -87.51 -42.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.159 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm . . . . . 0 N--CA 1.466 0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.193 -174.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.95 -28.71 70.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -69.33 -38.95 78.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.391 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -62.48 -55.41 27.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.543 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 16' ' ' ILE . 11.4 t -65.01 -39.21 84.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.389 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -54.18 -56.74 15.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.629 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.576 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 50.9 m -69.26 -27.22 65.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.274 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 19' ' ' ILE . 32.4 tp -66.46 -43.32 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 12' ' ' VAL . 84.7 mt -61.2 -41.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.669 174.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.552 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -59.47 -38.45 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.008 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' B' ' 14' ' ' SER . 22.7 mm-40 -57.21 -49.9 74.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.325 0.583 . . . . 0.0 110.013 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.598 HG21 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -63.34 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.552 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.9 mt -61.79 -40.22 94.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.988 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.552 HG21 ' O ' ' B' ' 17' ' ' ALA . 65.0 t -61.01 -42.24 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 22' ' ' VAL . 58.7 t -56.42 -55.82 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.978 0.418 . . . . 0.0 110.61 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.691 HD12 HD21 ' B' ' 37' ' ' LEU . 62.4 mt -57.12 -47.65 80.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.838 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.97 -29.95 61.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -65.84 -44.17 86.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.046 0.45 . . . . 0.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -77.91 -7.18 56.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 tttp 54.79 58.8 4.52 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.474 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.42 116.31 62.99 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.065 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.96 167.46 7.18 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.634 2.222 . . . . 0.0 111.479 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -50.72 -42.15 56.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.307 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.3 -55.56 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.497 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -76.42 -34.6 58.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.658 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -67.64 -46.37 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.5 0.19 . . . . 0.0 111.119 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.43 -37.88 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.83 -40.98 94.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.318 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.13 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.059 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.691 HD21 HD12 ' B' ' 23' ' ' LEU . 4.4 mm? -59.86 -35.97 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.356 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.22 -38.27 94.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.355 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -82.36 -20.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.568 0.223 . . . . 0.0 111.099 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.74 -50.16 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.652 0.263 . . . . 0.0 110.362 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 37' ' ' LEU . 56.5 t -57.76 -46.12 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.336 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -38.58 79.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.821 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.38 -32.46 74.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.598 0.237 . . . . 0.0 110.738 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.32 -43.91 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 0.0 109.94 175.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.694 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 91.0 mt -64.59 -51.0 64.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.214 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.486 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.2 mm-40 -63.23 -18.15 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -100.14 -56.33 2.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.519 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -84.29 -42.56 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.91 127.88 41.41 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.125 -171.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.37 148.56 86.06 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.552 2.168 . . . . 0.0 111.243 174.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' B' ' 54' ' ' ARG . 22.9 t -50.81 -35.27 31.33 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -50.25 -51.48 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.467 0.479 . . . . 0.0 111.22 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m -94.41 -23.14 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.905 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.694 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 36.2 ttm180 -52.91 -53.71 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.36 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.452 HE21 ' C ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.72 -33.69 74.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.287 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.12 80.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.227 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.69 -39.2 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.24 -50.38 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.11 -38.78 89.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.544 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.12 -44.51 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.397 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.7 -43.56 98.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.211 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . . . -59.2 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -66.22 -41.74 89.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 0.0 111.076 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 69' ' ' VAL . 14.4 tp -66.87 -48.26 69.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.987 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -61.29 -42.69 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.903 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -54.18 -48.87 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.375 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -65.76 -34.99 79.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.541 0.21 . . . . 0.0 111.498 -176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 58' ' ' ALA . 58.0 t -67.5 -46.31 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.483 0.659 . . . . 0.0 110.362 175.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.496 ' HG2' ' HG3' ' A' ' 55' ' ' GLN . 34.4 mtpt -74.96 -1.53 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.884 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.183 173.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.22 -51.04 65.71 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.26 0.35 . . . . 0.0 111.255 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -63.43 -31.13 72.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.7 -45.98 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.186 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.49 -44.68 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.25 -43.99 71.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.84 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -61.98 -40.51 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.6 mp -69.85 -45.83 66.92 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.855 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.4 mt -55.34 -47.38 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 O-C-N 123.24 0.338 . . . . 0.0 110.495 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.8 -38.4 81.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.461 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -68.62 -40.83 80.19 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.058 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.642 HG22 HG23 ' B' ' 19' ' ' ILE . 37.5 mt -65.87 -35.23 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.843 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 78.8 mt -64.2 -35.06 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.5 t -59.3 -40.94 82.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.7 t -58.63 -56.24 17.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 175.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.4 -44.31 72.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.752 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.78 -29.93 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.241 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.79 -43.11 76.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.107 0.48 . . . . 0.0 110.72 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -88.55 -8.69 54.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.884 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 3.9 ttmp? 58.48 59.05 3.11 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.717 0.77 . . . . 0.0 109.328 -174.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.63 124.63 75.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.37 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.53 172.5 13.27 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.62 2.213 . . . . 0.0 111.517 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.455 ' OG1' ' HG3' ' B' ' 48' ' ' LYS . 18.2 m -63.42 -32.55 74.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.003 0.43 . . . . 0.0 110.87 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.69 -52.12 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.127 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 tp -71.32 -33.77 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.349 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 37' ' ' LEU . 6.4 p -68.76 -42.95 76.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.54 -41.37 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.35 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.6 tpp -60.71 -46.7 89.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.661 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.66 79.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 3.4 mm? -56.39 -49.36 74.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.807 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -19.05 58.73 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.078 -177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -95.11 -44.18 7.77 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.667 -0.314 . . . . 0.0 111.155 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 37' ' ' LEU . 27.1 p -67.98 -42.53 80.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.235 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' B' ' 37' ' ' LEU . 62.2 t -60.13 -47.42 92.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.135 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.523 ' OG1' HD22 ' B' ' 65' ' ' LEU . 4.3 m -75.82 -20.3 58.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.494 -174.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -74.12 -39.66 63.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.8 -37.27 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.273 0.559 . . . . 0.0 109.721 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 tt -66.62 -24.24 66.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.328 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.77 -45.06 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -81.77 -39.61 23.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.277 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -100.39 -0.32 38.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.832 -170.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 63.5 t -123.72 130.94 24.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.295 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.553 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 10.0 Cg_endo -54.58 149.91 37.46 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.927 2.418 . . . . 0.0 112.403 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.8 p -49.22 -56.78 8.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.914 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.22 -36.81 85.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.3 t -75.25 -19.38 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 -174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.8 mtt180 -53.59 -43.29 68.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.212 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 46.5 mt-30 -59.73 -52.84 63.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.646 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.27 -48.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.884 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.2 95.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.008 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 45.9 mt-10 -61.47 -49.23 77.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.666 0.27 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -63.66 -46.93 83.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.66 -47.28 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.662 ' HB2' ' HB1' ' B' ' 62' ' ' ALA . . . -63.9 -39.36 94.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -67.28 -40.15 86.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.39 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.97 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.477 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 69' ' ' VAL . 24.1 tp -61.09 -55.74 29.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.272 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.93 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.56 -46.12 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.2 p -67.26 -23.9 65.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.378 -176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 65' ' ' LEU . 58.9 t -72.43 -28.68 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.497 . . . . 0.0 110.167 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -177.639 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -58.21 -36.15 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.6 m -63.01 -35.36 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -75.93 -49.11 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.457 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -41.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.449 . . . . 0.0 110.069 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.82 -47.33 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.758 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -61.82 -37.28 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.601 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.519 ' O ' HG13 ' B' ' 19' ' ' ILE . 8.8 mp -62.01 -61.14 2.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.246 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -53.8 -39.99 41.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.762 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.483 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -56.16 -60.28 3.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.715 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.15 -33.93 75.39 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.553 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.642 HG23 HG22 ' A' ' 19' ' ' ILE . 73.5 mt -61.52 -45.2 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.031 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.8 -35.92 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.615 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 17' ' ' ALA . 32.8 t -55.97 -48.02 79.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.757 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.427 HG21 ' CG2' ' A' ' 22' ' ' VAL . 79.4 t -60.36 -47.25 93.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.068 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.742 HD12 HD21 ' B' ' 37' ' ' LEU . 58.0 mt -63.76 -44.07 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.25 -32.24 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.7 -35.8 77.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.83 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.424 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 37.1 m170 -72.49 -28.03 62.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.08 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 53.81 44.46 29.52 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 122.07 0.938 . . . . 0.0 108.667 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 143.15 82.11 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.407 -1.269 . . . . 0.0 111.261 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.54 158.89 21.74 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.859 2.373 . . . . 0.0 111.579 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m -61.42 -35.85 78.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.736 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.15 -52.99 62.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.502 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.37 -30.03 69.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.492 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.47 ' O ' HD22 ' B' ' 37' ' ' LEU . 18.4 m -66.5 -55.67 14.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.408 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.07 -37.72 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.91 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -65.07 -46.13 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.421 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.4 69.95 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.857 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.742 HD21 HD12 ' B' ' 23' ' ' LEU . 4.6 mm? -64.32 -39.47 93.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.332 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -48.67 78.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 35.4 m-80 -64.07 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.971 0.415 . . . . 0.0 110.653 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -67.43 -32.47 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.871 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 37' ' ' LEU . 41.3 t -69.46 -50.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.903 0.382 . . . . 0.0 110.249 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.6 p -67.28 -38.91 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.869 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.2 OUTLIER -63.95 -16.33 61.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -177.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.96 -45.58 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.362 . . . . 0.0 110.172 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.461 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 78.8 mt -59.93 -48.65 80.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -75.77 -2.27 29.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.798 0.332 . . . . 0.0 111.56 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -101.05 -49.75 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.559 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.455 ' HG3' ' OG1' ' A' ' 30' ' ' THR . 31.3 mmmt -117.7 6.28 12.38 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 38.7 t -123.58 130.97 24.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.445 0.164 . . . . 0.0 110.803 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.61 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 17.8 Cg_endo -61.12 153.09 67.12 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.862 2.375 . . . . 0.0 111.874 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -53.12 -38.99 63.11 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.86 -50.6 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.252 0.549 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -75.2 -21.52 58.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.53 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.8 mtt180 -53.02 -49.06 67.02 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.72 0.295 . . . . 0.0 110.722 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -71.07 -39.04 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.89 87.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.863 0.363 . . . . 0.0 111.332 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.22 -37.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.075 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.46 -32.25 71.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.598 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.72 -49.16 78.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.869 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 62' ' ' ALA . . . -60.5 -42.49 96.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.928 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.12 -37.24 86.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.073 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.24 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.957 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.523 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.8 mt -63.52 -51.24 66.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.218 0.532 . . . . 0.0 109.642 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.41 83.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.493 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.93 -42.68 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.738 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -64.92 -26.85 68.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.358 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -95.69 -52.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 111.284 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -79.25 -37.45 37.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -169.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.738 0.304 . . . . 0.0 111.338 -176.015 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' HG21 ' A' ' 12' ' ' VAL . 41.6 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.803 0.335 . . . . 0.0 110.303 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -76.61 -35.44 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.817 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.7 -45.58 93.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.41 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG22 HD13 ' B' ' 32' ' ' LEU . 39.8 t -60.29 -45.63 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.38 -47.76 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.777 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 t -61.56 -38.26 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.656 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.3 tp -63.23 -51.32 66.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.443 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.456 ' HA ' HD12 ' A' ' 19' ' ' ILE . 74.2 mt -59.21 -40.67 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.566 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -56.66 -46.21 81.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.846 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.37 -41.58 97.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.642 HG21 HG22 ' B' ' 19' ' ' ILE . 47.4 mt -61.95 -44.61 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.359 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.54 -40.85 96.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.821 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 17' ' ' ALA . 64.0 t -65.26 -33.73 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' CG2' ' B' ' 22' ' ' VAL . 54.5 t -64.44 -44.33 97.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.314 . . . . 0.0 110.481 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.9 -34.02 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.933 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 11.1 tp10 -61.07 -44.38 97.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.791 0.329 . . . . 0.0 110.392 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HE2' HG11 ' A' ' 21' ' ' VAL . 61.1 mttm -61.58 -24.02 66.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.274 0.559 . . . . 0.0 110.586 176.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' ND1' ' HG ' ' B' ' 15' ' ' LEU . 57.1 m170 -84.86 -30.87 24.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.548 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 57.4 40.66 27.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.632 0.729 . . . . 0.0 109.966 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -78.44 137.29 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.676 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 18.4 Cg_exo -67.01 167.72 19.15 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.216 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -51.08 -40.31 58.09 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.491 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 35' ' ' MET . 4.8 m-20 -55.23 -66.1 0.47 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.124 0.488 . . . . 0.0 110.911 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.54 -30.09 71.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.284 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -63.06 -51.36 67.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.263 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.73 -38.05 89.66 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.456 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 91.8 mmm -61.08 -41.87 97.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.527 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.22 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' HG21 ' A' ' 41' ' ' VAL . 4.1 mm? -57.02 -48.51 78.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.15 87.34 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.191 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -78.05 -46.54 20.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.59 -0.359 . . . . 0.0 111.656 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.1 p -66.08 -38.29 87.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.215 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' B' ' 37' ' ' LEU . 97.4 t -63.47 -48.19 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.491 ' OG1' ' HG ' ' B' ' 65' ' ' LEU . 42.9 m -63.14 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.646 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.55 -28.02 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.9 mt -63.91 -59.34 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.691 0.281 . . . . 0.0 110.897 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.647 HD11 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.5 -7.46 57.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 111.174 -178.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -38.57 36.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.157 0.503 . . . . 0.0 110.362 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -97.71 -19.84 17.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.196 -172.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -115.77 -7.3 12.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 59.2 t -123.34 129.0 25.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.791 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.94 150.47 37.78 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.153 2.569 . . . . 0.0 111.908 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -39.81 72.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -60.13 -36.47 77.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' HG21 ' A' ' 57' ' ' VAL . 49.1 m -97.45 -15.43 20.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.129 0.49 . . . . 0.0 110.876 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG2' HG13 ' B' ' 69' ' ' VAL . 33.3 ttm180 -57.58 -39.81 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.216 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.09 -38.36 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.586 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.21 65.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.547 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 53' ' ' SER . 98.7 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.292 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.16 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.9 -49.94 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.56 -35.2 80.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.59 -44.12 75.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.164 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' B' ' 62' ' ' ALA . . . -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.36 -46.43 88.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.56 88.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.01 -50.79 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.341 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.38 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.397 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.43 -32.69 73.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.468 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -66.42 -37.72 85.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.377 . . . . 0.0 110.333 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.65 -40.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.036 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 177.725 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.676 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.194 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.26 -56.01 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.048 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.568 ' O ' HG12 ' B' ' 16' ' ' ILE . 50.7 t -60.52 -43.97 95.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.611 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.68 -43.19 89.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 35.4 t -62.64 -39.56 94.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.33 . . . . 0.0 110.43 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.639 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.8 mp -63.69 -49.27 73.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.265 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.568 HG12 ' O ' ' B' ' 12' ' ' VAL . 37.1 mm -54.74 -48.81 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.528 0.518 . . . . 0.0 110.894 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -54.56 -49.06 71.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.465 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 22' ' ' VAL . 31.6 mt-10 -65.56 -34.24 77.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.642 HG22 HG21 ' A' ' 19' ' ' ILE . 21.2 mt -69.79 -38.23 75.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.397 0.618 . . . . 0.0 109.769 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.96 -33.19 74.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.768 175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 17' ' ' ALA . 54.1 t -61.18 -37.42 77.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.298 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.536 ' CG2' HG23 ' A' ' 22' ' ' VAL . 76.7 t -59.69 -53.76 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.174 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.01 -52.13 46.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.373 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.97 -37.77 88.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.84 -22.75 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -106.03 6.46 31.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.62 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.41 45.1 23.32 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 111.312 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.55 120.43 74.15 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.03 171.13 7.93 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.642 2.228 . . . . 0.0 111.569 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -57.92 -38.29 75.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.78 -52.78 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.826 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.571 HD13 HG22 ' A' ' 12' ' ' VAL . 28.7 tp -69.41 -30.79 68.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.692 -176.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -53.19 58.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.63 -39.16 87.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 110.533 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.76 -51.76 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.21 70.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.698 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.624 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mm? -63.47 -36.6 84.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.032 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.34 -51.45 57.97 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.089 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.53 -31.24 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.498 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 t -61.83 -46.19 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 37' ' ' LEU . 52.1 t -61.3 -50.51 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -38.28 81.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.019 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.88 -37.24 84.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.6 mt -66.97 -48.87 67.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.683 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 75.0 mt -61.7 -38.58 88.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.081 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.23 -35.47 77.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.074 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.64 -42.7 9.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.595 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 48' ' ' LYS . 63.9 mmtt -82.98 -43.76 16.03 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.54 130.45 23.23 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.31 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.15 148.4 40.34 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.047 2.498 . . . . 0.0 112.2 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -47.25 -44.42 22.87 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -69.26 -44.31 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.207 -0.308 . . . . 0.0 111.028 -176.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 57' ' ' VAL . 23.8 t -74.56 -28.53 60.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.683 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 31.1 ttm180 -54.08 -45.44 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.197 175.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -68.14 -39.18 82.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.9 86.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 53' ' ' SER . 65.8 t -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.334 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.18 96.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.67 -46.85 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.342 0.591 . . . . 0.0 110.699 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -77.41 -30.0 53.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.986 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.72 -51.67 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.094 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 62' ' ' ALA . . . -61.59 -34.12 75.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -69.02 -37.96 78.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.891 178.589 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.61 95.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.491 ' HG ' ' OG1' ' A' ' 42' ' ' THR . 9.8 mp -63.1 -48.79 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.585 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.7 89.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.3 -38.69 88.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.9 t -62.48 -47.27 84.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.428 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 54' ' ' ARG . 94.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -71.45 -26.2 62.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.998 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.699 178.048 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' HG21 ' A' ' 12' ' ' VAL . 31.2 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.39 -43.41 83.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.85 0.357 . . . . 0.0 110.186 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 m -60.19 -43.27 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.655 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -62.37 -49.16 76.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.678 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.9 t -58.82 -47.76 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.429 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.4 -42.38 95.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.318 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.5 t -62.84 -39.24 93.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -67.15 -41.71 85.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.801 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.7 mt -57.37 -47.48 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -59.6 -35.61 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.279 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 42.4 tt0 -67.13 -49.08 66.08 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 110.28 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.606 HG22 HG21 ' B' ' 19' ' ' ILE . 51.0 mt -60.3 -37.44 73.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.77 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 76.3 mt -63.32 -40.55 97.62 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.14 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 17' ' ' ALA . 83.0 t -56.41 -44.11 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.92 0.39 . . . . 0.0 110.601 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.653 HG21 HG21 ' B' ' 22' ' ' VAL . 67.9 t -59.01 -46.13 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 37' ' ' LEU . 95.2 mt -62.82 -41.6 99.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.688 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 45.1 mt-10 -59.71 -39.26 84.03 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -59.47 -29.13 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.658 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.508 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 28.9 m170 -83.43 -29.4 28.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.879 -177.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 56.27 46.27 21.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.619 0.723 . . . . 0.0 109.224 -170.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.75 136.44 63.09 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.107 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.83 164.11 28.22 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.736 2.291 . . . . 0.0 111.741 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.62 -37.69 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.328 0.585 . . . . 0.0 111.074 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.6 -45.58 86.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.575 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.21 -37.9 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.166 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' O ' HD21 ' A' ' 37' ' ' LEU . 6.1 p -64.51 -48.04 76.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.865 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.45 -38.24 80.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.897 0.379 . . . . 0.0 110.594 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.19 -46.88 82.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.857 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' B' ' 41' ' ' VAL . 3.9 mm? -58.8 -44.75 90.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.989 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -48.44 83.95 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.478 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.91 -37.71 88.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.1 t -61.36 -53.42 56.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 37' ' ' LEU . 84.5 t -57.87 -45.29 87.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 m -62.92 -39.85 95.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -72.95 -28.69 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 97.4 mt -68.9 -44.9 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.37 -25.78 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.386 177.173 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -72.45 -49.29 34.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -90.55 -42.04 11.04 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -169.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.82 -7.06 47.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 46.5 t -123.42 124.57 26.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.613 0.244 . . . . 0.0 110.915 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.08 150.0 86.42 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.031 2.487 . . . . 0.0 112.009 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 p -49.77 -43.61 48.25 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.15 -47.81 71.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -90.3 -12.27 38.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.385 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -61.58 -39.79 92.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.433 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' HA ' HG11 ' B' ' 69' ' ' VAL . 34.4 tt0 -77.26 -35.48 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.25 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.53 ' HB ' HD21 ' A' ' 45' ' ' LEU . 90.3 t -66.87 -36.33 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.04 79.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.3 -53.96 52.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.016 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.95 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.341 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.27 -46.68 87.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB3' ' HB1' ' B' ' 62' ' ' ALA . . . -60.19 -40.83 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.119 0.485 . . . . 0.0 111.3 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -75.71 -35.81 60.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.733 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.5 -36.16 82.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.37 -49.9 76.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.177 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.46 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.025 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.45 -30.59 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 m -66.27 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.238 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.21 -29.95 38.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.573 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.261 -178.048 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -60.07 -35.03 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -70.99 -22.62 62.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -76.18 -52.39 10.16 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.61 -46.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.244 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.9 -43.62 98.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.451 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 35.7 t -56.21 -51.79 66.77 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.55 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.614 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.9 mp -57.56 -54.01 51.7 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.74 -47.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.486 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -64.57 -43.12 94.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.282 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' O ' HG22 ' B' ' 22' ' ' VAL . 12.8 pt-20 -77.84 -22.83 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.263 -173.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 15' ' ' LEU . 65.3 mt -73.79 -34.89 41.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.39 -37.0 85.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.933 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 17' ' ' ALA . 69.5 t -58.05 -40.2 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.404 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.653 HG21 HG21 ' A' ' 22' ' ' VAL . 45.0 t -55.03 -56.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.23 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.665 HD12 HD23 ' B' ' 37' ' ' LEU . 94.9 mt -57.1 -51.91 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.404 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.09 -28.69 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 18' ' ' GLU . 20.2 pttm -68.81 -27.34 65.77 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.981 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -110.06 6.17 22.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 110.004 170.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tttp 44.13 43.93 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.975 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 127.8 3.03 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.826 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.56 168.36 4.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.304 2.669 . . . . 0.0 112.703 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -58.24 -51.93 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.555 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.95 -50.42 73.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.74 -38.76 82.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.927 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' HD21 ' B' ' 37' ' ' LEU . 50.2 m -61.68 -49.79 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.426 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.17 -39.19 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 91.8 mtp -64.49 -51.07 64.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.43 76.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.04 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.665 HD23 HD12 ' B' ' 23' ' ' LEU . 4.6 mm? -64.3 -44.34 91.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.368 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.55 -47.02 92.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.437 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.04 -29.33 67.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.568 0.223 . . . . 0.0 110.673 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.44 -46.44 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.719 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 37' ' ' LEU . 80.3 t -58.22 -45.01 89.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.005 0.431 . . . . 0.0 110.238 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.8 m -66.31 -39.55 89.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.456 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -58.42 -37.83 76.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.128 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 95.8 mt -64.01 -47.24 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.781 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 84.6 mt -62.38 -41.92 99.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.46 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 42' ' ' THR . 8.5 mm-40 -57.94 -52.64 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -102.11 6.07 40.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -169.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 44' ' ' LEU . 72.9 mmtt -120.14 -50.34 2.26 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.938 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 t -97.08 133.05 24.6 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.865 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.39 141.71 89.21 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.748 2.299 . . . . 0.0 111.046 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -49.53 -39.02 32.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.966 0.506 . . . . 0.0 112.338 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.58 -51.49 69.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.442 ' O ' HG22 ' B' ' 57' ' ' VAL . 20.5 t -77.99 -27.07 48.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.211 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.781 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 37.1 ttm180 -53.21 -49.61 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.09 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.14 -44.22 97.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.323 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.44 97.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.824 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.442 HG22 ' O ' ' B' ' 53' ' ' SER . 96.7 t -65.41 -44.85 94.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.345 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.12 82.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.04 -36.96 78.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.255 0.55 . . . . 0.0 110.158 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.56 -46.56 82.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.285 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 62' ' ' ALA . . . -58.04 -41.83 84.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.49 -52.11 65.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.72 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.46 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.05 -54.34 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.125 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -63.86 -39.19 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.386 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.14 -39.38 82.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.583 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.1 m -65.12 -39.55 93.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.362 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 55' ' ' GLN . 49.1 t -71.99 -34.87 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.855 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 68.5 mttm -61.7 -43.05 99.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.743 177.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 -176.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.05 -31.76 71.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.924 0.392 . . . . 0.0 110.357 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -60.56 -44.59 95.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.708 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -66.0 -44.95 83.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.779 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.1 -48.37 84.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.17 -38.11 78.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -62.17 -43.98 97.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.589 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.9 tt -60.71 -47.51 85.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.683 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.538 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.3 mt -59.13 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.17 -39.99 84.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.66 -47.99 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.153 0.502 . . . . 0.0 110.336 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 15' ' ' LEU . 8.0 mt -64.59 -37.04 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.325 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 89.1 mt -66.12 -36.75 83.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.939 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 17' ' ' ALA . 73.7 t -59.08 -44.11 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.352 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG23 HG22 ' B' ' 22' ' ' VAL . 87.6 t -63.81 -35.15 72.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.157 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.78 -41.13 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -66.45 -34.23 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.211 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 71.0 mmtt -58.15 -43.27 87.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.541 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -99.82 -14.21 18.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 56.72 71.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.36 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.81 124.14 69.54 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.361 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.02 171.08 6.57 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.433 2.089 . . . . 0.0 111.784 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.7 m -53.91 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 0.0 110.96 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.1 -51.15 70.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.82 -38.73 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.774 -176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m -63.02 -45.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.086 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 30' ' ' THR . 94.0 mt -60.81 -41.11 95.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 0.0 110.74 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.51 -45.64 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.997 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mm? -59.6 -50.24 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.98 -45.47 95.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.842 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.39 -34.88 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 0.162 . . . . 0.0 111.064 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 47.0 t -68.23 -35.06 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.659 0.266 . . . . 0.0 110.574 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' LEU . 67.9 t -63.68 -48.79 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -63.6 -38.83 92.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.373 0.606 . . . . 0.0 109.937 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.638 ' HD1' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t-80 -48.54 -54.16 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.442 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.638 ' HG ' ' HD1' ' A' ' 43' ' ' HIS . 6.8 mt -72.83 -26.13 61.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.522 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 49' ' ' VAL . 88.2 mt -65.95 -44.83 83.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.915 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -79.46 -8.46 59.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.562 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -107.77 -52.04 2.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -115.64 13.14 16.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.488 HG23 HD22 ' A' ' 45' ' ' LEU . 50.3 t -123.63 131.58 24.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.59 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 Cg_endo -50.55 145.36 22.58 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.119 2.546 . . . . 0.0 112.106 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 m -51.29 -56.63 11.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -169.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.62 -13.97 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.892 0.377 . . . . 0.0 111.411 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 45.7 t -86.27 -24.04 26.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.12 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 98.6 mtt180 -53.97 -48.16 70.62 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.881 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -38.33 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.976 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -62.28 -52.16 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.692 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.7 -38.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.38 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.18 83.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 75.0 mm-40 -60.89 -49.75 76.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 23.9 mt-30 -58.39 -52.74 64.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.13 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -61.42 -44.78 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HB3' ' HB1' ' B' ' 62' ' ' ALA . . . -60.65 -43.29 97.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 59' ' ' GLU . 37.4 mttm -74.37 -35.22 63.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.604 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.09 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.584 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.32 -49.28 74.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.553 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.34 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.935 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 6.3 tp60 -65.23 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.78 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -64.74 -35.36 80.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.834 0.35 . . . . 0.0 110.282 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.01 -42.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.575 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 -178.603 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.446 -0.669 0 CA-C-O 120.903 0.383 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.53 -25.57 68.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.27 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -63.72 -38.7 92.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.26 0.552 . . . . 0.0 110.181 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.63 -50.13 59.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.363 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 16' ' ' ILE . 25.8 t -62.76 -43.05 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.13 -45.11 79.68 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -62.27 -41.01 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 tp -65.25 -45.29 85.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.369 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 12' ' ' VAL . 88.0 mt -61.06 -43.57 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.658 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.593 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -58.0 -41.68 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.89 -45.71 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 9.4 pt -70.27 -29.97 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.885 0.374 . . . . 0.0 110.709 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.425 HD21 HG21 ' B' ' 16' ' ' ILE . 5.6 mp -69.4 -39.32 78.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 176.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.593 HG22 ' O ' ' B' ' 17' ' ' ALA . 70.0 t -56.46 -44.68 80.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.428 HG12 ' CE1' ' B' ' 26' ' ' HIS . 61.9 t -60.13 -53.05 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.03 -43.02 95.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.7 -16.95 60.09 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.588 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 93.9 mttt -72.88 -15.53 61.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.222 0.534 . . . . 0.0 109.764 169.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.428 ' CE1' HG12 ' B' ' 22' ' ' VAL . 13.4 m170 -92.32 -22.99 19.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.813 173.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 tttt 50.56 62.38 2.72 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.113 -165.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' B' ' 29' ' ' PRO . . . -76.52 118.23 70.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.816 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 36.9 Cg_endo -66.19 164.05 29.37 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.603 2.202 . . . . 0.0 110.932 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -44.37 48.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.395 0.434 . . . . 0.0 111.645 -176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.31 -58.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.937 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.39 -30.98 66.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -71.55 -48.6 47.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.684 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.19 -34.73 77.0 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.2 tpp -59.93 -51.17 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.28 72.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG21 ' B' ' 41' ' ' VAL . 4.4 mm? -59.96 -47.14 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.376 -178.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.53 -43.01 96.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.099 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.566 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 30.6 m-80 -69.01 -31.22 69.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.587 0.232 . . . . 0.0 111.281 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.538 ' SG ' HG23 ' A' ' 16' ' ' ILE . 76.6 m -70.34 -33.06 71.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.538 0.209 . . . . 0.0 110.756 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.483 HG21 ' O ' ' B' ' 37' ' ' LEU . 58.1 t -68.02 -47.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.844 0.354 . . . . 0.0 110.366 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -69.19 -37.25 78.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.761 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.0 OUTLIER -54.13 -30.66 49.81 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.309 177.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' CE1' ' B' ' 43' ' ' HIS . 66.9 mt -85.98 -44.61 12.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 110.64 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 35.3 mt -61.72 -35.51 78.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.24 -178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.87 -38.21 19.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -39.12 17.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.863 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 10.4 mmpt? -98.46 -37.52 9.56 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.784 -173.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 26.9 t -96.26 131.3 28.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.726 0.298 . . . . 0.0 111.03 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.503 ' HB2' ' OE1' ' B' ' 52' ' ' GLU . 22.1 Cg_exo -65.28 150.29 87.52 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 111.435 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -54.39 -40.26 68.04 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -170.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.503 ' OE1' ' HB2' ' B' ' 50' ' ' PRO . 0.0 OUTLIER -66.28 -50.09 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.425 0.631 . . . . 0.0 110.004 -178.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.405 ' O ' HG22 ' B' ' 57' ' ' VAL . 9.8 m -70.74 -25.49 62.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -57.53 -44.43 85.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.811 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.93 -42.81 89.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.959 0.409 . . . . 0.0 110.712 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.65 -45.77 88.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.12 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 53' ' ' SER . 97.4 t -66.85 -40.95 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.798 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.87 -37.11 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.148 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.66 -39.56 84.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.513 . . . . 0.0 109.939 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.88 -46.43 89.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.15 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 62' ' ' ALA . . . -57.44 -40.88 79.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.85 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -60.24 -57.23 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.922 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.07 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 111.246 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.33 -62.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.585 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -66.38 -32.38 73.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.838 -173.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.57 -34.75 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.539 0.209 . . . . 0.0 110.437 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 69.4 m -64.67 -38.52 91.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.18 -42.06 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.925 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 63.6 mttp -62.48 -44.3 96.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.112 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.736 179.572 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -57.59 -39.41 76.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.826 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -55.27 -38.96 69.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.748 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.456 HE22 HD23 ' A' ' 15' ' ' LEU . 17.7 tm0? -67.85 -57.35 6.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.17 -44.68 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.114 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.22 -47.51 84.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -70.66 -34.58 72.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.489 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.643 ' O ' HG12 ' A' ' 19' ' ' ILE . 45.5 tp -60.88 -53.25 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.087 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.09 -46.13 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.32 -46.21 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.67 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -69.63 -30.86 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -61.86 -45.15 99.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.69 0.757 . . . . 0.0 109.015 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.72 -35.77 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.623 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.6 t -57.85 -41.12 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 177.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.26 -54.21 38.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.617 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.11 -44.65 79.29 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.763 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -72.29 -32.38 66.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.255 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.34 -32.65 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -87.9 -0.05 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.133 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt 44.14 49.26 7.63 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.333 1.021 . . . . 0.0 111.098 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.28 132.42 86.07 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.724 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HD2' HD21 ' A' ' 32' ' ' LEU . 46.9 Cg_exo -57.23 162.05 10.25 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.442 2.095 . . . . 0.0 111.157 173.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -54.95 -45.03 74.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.94 0.4 . . . . 0.0 111.202 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.55 -32.81 70.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.465 -178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD13 HG23 ' B' ' 12' ' ' VAL . 47.6 tp -73.9 -39.89 63.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.686 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -60.31 -45.48 93.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.187 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.03 -37.58 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.904 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 tpp -61.23 -60.18 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.69 80.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 0.0 111.258 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' HG ' HG22 ' B' ' 41' ' ' VAL . 11.2 tp -66.19 -47.94 72.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.321 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.61 95.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.581 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 14.1 m120 -58.69 -50.55 73.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 174.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.29 -47.9 83.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 37' ' ' LEU . 89.1 t -56.59 -50.55 73.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.536 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.443 ' OG1' HD22 ' B' ' 65' ' ' LEU . 3.1 m -78.86 -28.68 44.25 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.65 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -70.94 -23.48 62.25 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.162 0.505 . . . . 0.0 110.637 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 43.8 mt -75.83 -32.81 59.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.882 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.51 -36.08 73.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.011 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.55 ' HB2' ' HG3' ' A' ' 47' ' ' ARG . 35.7 mt-10 -59.77 -57.64 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.771 0.796 . . . . 0.0 111.735 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HG3' ' HB2' ' A' ' 46' ' ' GLU . 11.8 mtt-85 -105.64 -3.03 22.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.22 -160.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 40.8 mmtm -111.06 -24.57 10.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.021 0.438 . . . . 0.0 110.514 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.48 135.29 24.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.554 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 34.8 Cg_exo -61.55 150.33 85.83 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.498 2.132 . . . . 0.0 112.124 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -46.67 -42.44 16.46 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.55 -43.23 81.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.4 t -82.29 -14.85 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.3 mtt180 -55.01 -48.14 73.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.793 0.33 . . . . 0.0 110.684 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 29.5 tt0 -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.797 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.09 74.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.06 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.37 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.44 69.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 29.5 mt-10 -68.33 -44.63 74.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.392 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.56 -37.22 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 111.102 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.13 -46.39 77.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.219 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' B' ' 62' ' ' ALA . . . -61.11 -40.46 93.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 94.8 mttt -64.35 -47.95 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.93 -35.89 77.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 HD23 HG11 ' B' ' 41' ' ' VAL . 10.6 tp -62.47 -54.45 39.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.12 82.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.092 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -66.42 -36.18 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.987 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.6 m -62.19 -36.79 82.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.337 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.57 -48.61 71.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.263 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.029 178.537 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -57.0 -39.33 74.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.022 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -70.16 -31.95 69.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.315 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.27 -52.01 45.96 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.449 HG23 HD13 ' A' ' 32' ' ' LEU . 37.4 t -56.68 -44.15 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.267 0.556 . . . . 0.0 110.17 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.48 -41.75 99.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.701 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t -66.25 -38.6 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' B' ' 19' ' ' ILE . 7.2 mp -60.02 -58.03 10.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.579 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -50.77 -45.59 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 123.568 0.543 . . . . 0.0 111.335 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.443 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -61.38 -47.18 87.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.815 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.94 -33.68 64.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.314 . . . . 0.0 111.252 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 15' ' ' LEU . 60.4 mt -64.82 -36.1 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' A' ' 43' ' ' HIS . 77.9 mt -65.4 -34.82 79.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.622 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 17' ' ' ALA . 83.4 t -57.66 -43.26 83.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.315 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -49.14 68.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.345 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.72 -45.24 63.53 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.47 174.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.75 -30.73 61.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -57.83 -44.59 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.7 -0.63 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HZ1' ' HB3' ' B' ' 27' ' ' LYS . 2.3 ttpm? 48.5 70.36 0.46 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.897 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.44 123.2 57.31 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.219 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.42 173.02 5.76 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.793 2.329 . . . . 0.0 111.044 172.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -56.1 -45.02 79.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.99 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -43.43 85.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 tp -79.86 -37.15 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.127 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.463 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 12.2 p -69.49 -43.05 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.2 -37.67 86.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.652 0.263 . . . . 0.0 110.506 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -61.82 -47.22 86.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.423 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -57.73 11.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.535 ' O ' HG21 ' B' ' 41' ' ' VAL . 66.0 mt -56.02 -41.47 74.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.667 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.24 87.59 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -73.79 -31.2 63.17 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.784 -0.245 . . . . 0.0 110.476 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -62.3 -50.31 72.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.695 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 37' ' ' LEU . 47.3 t -58.34 -49.04 83.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -70.27 -33.02 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.047 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' B' ' 47' ' ' ARG . 52.1 t60 -71.17 -31.04 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.14 -37.88 78.51 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.223 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.58 -55.17 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.727 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.33 -6.43 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.762 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' B' ' 43' ' ' HIS . 1.4 tmt_? -95.99 -61.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.445 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -104.91 -24.1 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 40.8 t -91.65 131.14 36.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.546 0.212 . . . . 0.0 111.03 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 49' ' ' VAL . 17.1 Cg_exo -68.11 139.68 47.29 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.77 2.314 . . . . 0.0 112.05 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.62 ' HA ' ' HB2' ' B' ' 54' ' ' ARG . 14.9 m -39.72 -39.05 0.71 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.23 -37.65 88.22 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.1 -0.375 . . . . 0.0 111.729 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -96.53 -13.36 23.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.62 ' HB2' ' HA ' ' B' ' 51' ' ' SER . 12.7 tpp85 -43.23 -64.19 0.68 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.13 0.972 . . . . 0.0 111.41 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.25 -30.17 62.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.941 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -37.46 82.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.7 -41.79 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.85 73.52 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.913 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -65.26 -46.16 81.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.215 179.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.26 -35.58 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.448 ' CE2' HD12 ' B' ' 65' ' ' LEU . 57.9 t80 -60.11 -45.84 91.62 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.47 0.653 . . . . 0.0 109.655 176.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -60.39 -37.53 81.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.118 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' B' ' 67' ' ' GLN . 65.2 mttm -56.5 -48.72 76.58 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.08 78.38 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.448 HD12 ' CE2' ' B' ' 61' ' ' PHE . 0.6 OUTLIER -69.84 -43.85 71.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.068 -177.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.79 88.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.615 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 26.4 mt-30 -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.279 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -68.22 -40.98 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.055 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.44 -42.19 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.32 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -69.39 -33.63 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.155 0.502 . . . . 0.0 110.812 177.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -61.15 -38.55 86.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.189 0.305 . . . . 0.0 111.087 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -60.92 -32.35 71.85 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -77.38 -34.29 54.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.169 0.509 . . . . 0.0 109.706 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 16' ' ' ILE . 59.2 t -69.66 -43.78 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.863 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.06 -50.48 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 p -63.71 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.282 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' B' ' 26' ' ' HIS . 3.6 mp -70.1 -48.96 55.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.709 175.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 12' ' ' VAL . 85.0 mt -54.8 -40.29 51.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.107 177.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -55.36 -52.02 64.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.008 176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -56.07 -45.6 79.25 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.885 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.548 HG22 HG22 ' B' ' 19' ' ' ILE . 39.1 mt -64.2 -45.3 96.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.851 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.58 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 49.5 t -58.69 -41.96 83.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG23 HG23 ' B' ' 22' ' ' VAL . 93.3 t -58.94 -48.71 85.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 120.866 0.365 . . . . 0.0 110.588 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 37' ' ' LEU . 92.5 mt -58.54 -34.45 71.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.365 175.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -71.26 -45.64 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 29.9 mtpp -56.06 -45.24 79.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.426 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.83 -4.37 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 pttm 36.01 72.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.277 0.986 . . . . 0.0 112.08 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.96 75.72 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.732 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.99 163.46 25.41 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.566 2.177 . . . . 0.0 111.51 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.6 m -53.99 -46.28 71.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 35' ' ' MET . 6.0 m-20 -58.17 -54.53 45.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 110.368 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 tp -62.65 -33.33 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.499 ' HB3' HD11 ' B' ' 44' ' ' LEU . 44.9 m -61.15 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.606 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.346 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 90.4 mmm -62.61 -45.86 90.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.96 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.14 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' B' ' 41' ' ' VAL . 4.6 mm? -59.82 -36.86 77.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.524 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.13 78.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.499 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -73.99 -17.79 60.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.631 0.253 . . . . 0.0 111.127 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' SG ' HG23 ' B' ' 16' ' ' ILE . 92.8 m -66.43 -46.33 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.73 -45.7 90.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -40.11 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.101 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.42 -34.01 73.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.662 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.529 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 98.4 mt -64.96 -48.06 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 82.0 mt -55.3 -48.59 73.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.617 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.21 -62.33 1.96 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.334 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 14.4 mmt180 -105.21 6.54 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -167.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 14.5 mptt -117.86 -24.33 7.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 172.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.5 t -113.75 135.84 22.01 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.391 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.4 Cg_endo -55.02 151.3 34.63 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.873 2.382 . . . . 0.0 112.43 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -50.61 -54.14 25.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.5 -29.5 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 0.0 111.281 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 50' ' ' PRO . 66.3 m -80.72 -24.58 38.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 93.9 mtt180 -54.87 -44.74 74.31 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.04 -47.72 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.35 80.93 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.512 -176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.85 -36.64 70.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.675 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -48.37 81.6 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.571 0.224 . . . . 0.0 110.46 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 63' ' ' LYS . 3.8 tp10 -51.58 -53.71 35.29 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.876 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.76 -51.52 58.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.435 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -60.97 -44.25 97.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.241 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.85 94.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.05 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HZ2' ' CD ' ' A' ' 59' ' ' GLU . 92.7 mttt -83.26 -24.4 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.528 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.03 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.937 0.399 . . . . 0.0 110.065 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' O ' HG21 ' A' ' 69' ' ' VAL . 14.6 tp -62.33 -51.16 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.69 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.868 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.91 -48.8 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.157 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 m -63.86 -40.49 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 65' ' ' LEU . 89.1 t -68.8 -31.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.797 ' HZ3' ' HB2' ' A' ' 70' ' ' LYS . 4.7 ttmp? . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -58.26 -33.18 69.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.885 0.374 . . . . 0.0 110.08 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -61.3 -48.03 83.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.089 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -60.84 -49.84 75.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.135 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.407 ' O ' HG13 ' B' ' 16' ' ' ILE . 46.4 t -61.71 -49.14 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.85 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.645 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.8 m -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.768 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.416 ' O ' HG13 ' B' ' 19' ' ' ILE . 40.6 tp -65.36 -45.52 83.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 110.281 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.487 HG23 ' SG ' ' A' ' 40' ' ' CYS . 82.4 mt -56.32 -42.65 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.942 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.507 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -60.81 -41.3 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 14' ' ' SER . 13.2 mm-40 -53.64 -48.48 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.43 0.633 . . . . 0.0 110.402 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.548 HG22 HG22 ' A' ' 19' ' ' ILE . 10.4 mt -68.2 -44.08 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.891 -177.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.12 -40.0 92.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.658 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 17' ' ' ALA . 53.1 t -58.99 -41.37 83.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.404 HG23 HG23 ' A' ' 22' ' ' VAL . 70.2 t -54.94 -51.99 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.721 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.758 HD13 HD21 ' B' ' 37' ' ' LEU . 98.7 mt -61.55 -55.09 34.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.048 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.04 -23.13 61.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.06 -48.13 82.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.614 ' CE1' HD22 ' A' ' 15' ' ' LEU . 9.1 p80 -96.19 4.62 52.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.417 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 78.7 tttt 67.09 44.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.404 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.57 ' HB3' ' NE2' ' B' ' 26' ' ' HIS . . . -53.08 114.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 171.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.09 159.74 33.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -51.58 -42.45 61.91 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.451 0.469 . . . . 0.0 112.207 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -36.31 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.205 0.526 . . . . 0.0 110.646 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 tp -84.07 -34.38 24.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.926 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 23.7 p -68.76 -47.15 66.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 0.0 110.608 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.7 -39.73 94.93 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.491 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.4 tpp -60.11 -52.14 66.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.99 -49.06 76.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.758 HD21 HD13 ' B' ' 23' ' ' LEU . 0.2 OUTLIER -62.29 -44.77 95.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -177.458 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -45.04 93.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.363 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -68.55 -32.71 72.83 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.954 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.414 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 75.0 m -67.2 -47.7 70.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.478 0.18 . . . . 0.0 110.936 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 37' ' ' LEU . 91.1 t -57.14 -45.03 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.561 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -69.45 -37.74 77.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.546 ' HA ' ' OE2' ' B' ' 46' ' ' GLU . 41.5 t60 -64.82 -32.51 74.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.196 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 33' ' ' SER . 94.5 mt -67.2 -38.38 85.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.101 0.477 . . . . 0.0 110.002 177.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.824 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 87.2 mt -64.89 -28.78 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.11 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.546 ' OE2' ' HA ' ' B' ' 43' ' ' HIS . 45.2 mt-10 -65.16 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 111.946 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -89.26 -23.19 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -167.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -96.8 -23.29 16.46 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.789 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -120.43 130.03 25.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.887 0.375 . . . . 0.0 111.033 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.32 143.56 99.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 111.382 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 m -47.69 -38.65 15.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.5 ' HG2' ' H ' ' B' ' 53' ' ' SER . 1.5 pm0 -66.75 -52.81 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 111.157 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.5 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 36.5 m -70.93 -26.65 63.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.113 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.824 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 39.9 ttm180 -53.66 -48.48 69.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.404 ' HA ' HG11 ' A' ' 69' ' ' VAL . 7.8 tt0 -77.53 -29.58 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -178.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.86 79.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 53' ' ' SER . 92.4 t -63.88 -34.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.325 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.3 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.71 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 61.5 mm-40 -59.9 -47.6 85.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.83 -39.94 90.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.912 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.89 -44.69 96.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.448 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.55 79.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.003 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 70.3 mmtt -64.51 -49.82 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.072 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.53 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.467 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.38 -44.85 93.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.712 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.63 -42.32 98.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.67 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 7.3 p -65.55 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.38 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -75.78 -47.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 110.739 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.714 -171.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.75 -178.017 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.593 0.235 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -56.91 -56.32 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.098 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' O ' HD12 ' A' ' 15' ' ' LEU . 33.5 tt0 -65.24 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.331 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG23 HD11 ' B' ' 32' ' ' LEU . 60.9 t -63.22 -38.82 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.287 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.086 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -68.67 -33.79 74.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.616 0.246 . . . . 0.0 110.873 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 19' ' ' ILE . 8.9 mp -63.03 -51.84 65.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 36' ' ' ALA . 74.5 mt -57.43 -46.29 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.33 -36.94 83.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.347 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 22' ' ' VAL . 5.5 tp10 -67.23 -39.49 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.69 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -60.73 -42.48 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.612 0.72 . . . . 0.0 109.688 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.82 -35.57 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.793 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.5 t -64.94 -34.73 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.679 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.538 ' CG2' HG21 ' B' ' 22' ' ' VAL . 49.1 t -57.76 -54.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 0.0 109.853 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 37' ' ' LEU . 92.2 mt -56.07 -51.93 66.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.861 175.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.11 -31.39 72.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.1 -29.17 70.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.87 -1.19 38.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.209 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 35.0 tptt 55.85 42.93 28.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.178 -176.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -65.85 122.74 82.36 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.225 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.2 Cg_exo -65.27 170.58 10.49 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.666 2.244 . . . . 0.0 111.518 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -54.04 -44.65 71.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.326 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.85 -47.11 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.549 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.83 -37.42 79.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.403 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 m -63.75 -54.25 38.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.804 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.15 -35.51 79.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.091 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.5 ttm -63.34 -53.96 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.36 79.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 23' ' ' LEU . 3.9 mm? -61.64 -44.95 96.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.02 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -45.67 95.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.411 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.9 OUTLIER -66.83 -36.14 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.158 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.0 t -62.78 -49.34 75.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 37' ' ' LEU . 93.3 t -56.89 -42.33 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 110.623 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -65.78 -39.4 90.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.685 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.71 -24.11 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.57 HD13 ' HG ' ' B' ' 37' ' ' LEU . 95.4 mt -66.56 -32.8 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 0.0 109.921 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.44 -28.34 66.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.201 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.56 -5.76 51.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.292 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.783 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 25.8 ttt180 -87.04 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.197 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.783 ' HG2' ' HG2' ' A' ' 47' ' ' ARG . 32.7 mmmt -130.67 25.59 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -114.91 128.01 26.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.664 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -57.29 148.98 67.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.961 2.441 . . . . 0.0 112.037 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -53.58 -47.96 69.63 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' OE1' ' HB2' ' A' ' 50' ' ' PRO . 1.3 pm0 -72.04 -34.45 68.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.475 ' O ' HG22 ' A' ' 57' ' ' VAL . 9.7 t -72.65 -28.49 62.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.257 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 99.3 mtt180 -53.35 -43.23 67.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.04 0.447 . . . . 0.0 110.562 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.46 -33.69 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -79.08 -33.91 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.647 0.261 . . . . 0.0 111.214 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 53' ' ' SER . 98.6 t -66.47 -37.93 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.958 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 17.3 tt0 -62.71 -53.73 49.99 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.931 174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 77.0 mm-40 -56.67 -42.46 79.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.15 -39.61 82.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.323 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.08 75.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.85 -43.84 94.94 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.54 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.87 92.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.81 -50.42 72.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.287 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.77 92.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.489 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -65.04 -38.67 91.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.349 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.484 ' HG ' HG21 ' B' ' 42' ' ' THR . 22.3 t -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.469 . . . . 0.0 110.104 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.35 -48.38 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.007 -176.029 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -62.17 -40.32 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.198 0.523 . . . . 0.0 109.642 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.0 m -62.95 -33.84 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.718 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.99 -49.06 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 16' ' ' ILE . 43.5 t -69.33 -46.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.51 -45.79 91.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.835 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -68.59 -29.79 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.886 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.624 ' O ' HG13 ' B' ' 19' ' ' ILE . 57.5 tp -63.03 -50.39 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 12' ' ' VAL . 65.8 mt -58.5 -43.32 86.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.211 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -59.45 -41.83 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.448 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 15' ' ' LEU . 27.7 mt -61.48 -40.16 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 109.839 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.15 -34.73 79.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.705 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.527 HG22 ' O ' ' B' ' 17' ' ' ALA . 85.3 t -62.85 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.232 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.538 HG21 ' CG2' ' A' ' 22' ' ' VAL . 86.1 t -60.07 -45.57 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.969 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.04 -42.67 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.674 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.09 -15.25 51.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' B' ' 21' ' ' VAL . 29.9 mmmt -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 0.0 110.12 175.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -98.65 -15.85 19.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.44 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.76 77.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.725 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.12 124.6 40.94 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.376 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.03 169.27 10.77 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.461 2.107 . . . . 0.0 111.338 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' A' ' 48' ' ' LYS . 19.9 m -51.03 -45.14 61.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' B' ' 35' ' ' MET . 10.5 m-20 -58.18 -53.7 55.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 12' ' ' VAL . 32.3 tp -68.33 -32.57 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.509 -176.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -46.78 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.141 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 30' ' ' THR . 95.7 mt -61.93 -35.99 80.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.62 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' B' ' 31' ' ' ASP . 87.6 mtp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -69.54 -57.72 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.57 ' HG ' HD13 ' A' ' 44' ' ' LEU . 4.5 mm? -52.2 -43.63 64.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.138 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.21 91.91 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.51 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.28 -33.57 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.505 0.193 . . . . 0.0 110.782 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.516 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 83.9 m -61.6 -52.71 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.414 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.41 -44.7 89.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.484 HG21 ' HG ' ' A' ' 68' ' ' SER . 21.3 m -61.52 -46.57 89.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.908 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -69.08 -27.82 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 87.6 mt -65.34 -49.87 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.468 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 83.5 mt -63.17 -37.51 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.704 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.38 -45.71 86.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.459 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -88.35 -42.82 11.95 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.544 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -88.65 -19.05 26.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 39.2 t -119.39 134.85 23.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.714 0.292 . . . . 0.0 111.324 -173.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.628 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 51.9 Cg_exo -57.06 153.07 40.61 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.427 176.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 27.3 t -48.61 -56.87 7.25 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.07 -39.72 93.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.578 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.413 ' HB2' HG11 ' B' ' 49' ' ' VAL . 5.5 m -70.11 -29.32 66.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.066 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.6 mtt180 -53.72 -50.36 66.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 177.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.58 -35.62 79.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.308 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.96 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 0.0 110.645 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.94 -40.12 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.31 89.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.692 0.282 . . . . 0.0 110.921 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.588 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 9.1 mm-40 -55.6 -56.02 25.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.032 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.45 -42.76 99.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.286 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.15 -47.28 85.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.61 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 42.8 mttm -70.78 -40.87 72.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.264 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.22 86.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.445 ' O ' HG21 ' B' ' 69' ' ' VAL . 17.8 tp -58.79 -55.2 38.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.123 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.88 -44.18 97.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.054 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -62.8 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 65' ' ' LEU . 72.1 t -61.46 -47.1 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 0.0 110.579 177.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.988 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -178.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -65.69 -45.48 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.255 0.55 . . . . 0.0 109.736 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 p -71.45 -30.49 66.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.365 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 5.8 tp-100 -58.67 -47.34 84.81 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.614 HG23 HD13 ' B' ' 32' ' ' LEU . 35.2 t -68.72 -45.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.26 -55.28 36.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.688 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.6 p -62.44 -33.99 75.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 110.777 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 19' ' ' ILE . 57.8 tp -59.96 -56.4 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.206 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' HA ' HD11 ' A' ' 19' ' ' ILE . 75.6 mt -62.12 -38.3 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.684 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -58.28 -47.27 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.223 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.53 -37.49 87.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 110.883 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.785 HG23 HG21 ' B' ' 19' ' ' ILE . 50.4 mt -59.2 -46.24 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.106 0.479 . . . . 0.0 110.083 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.86 -42.66 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.601 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 56.5 t -63.11 -38.21 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' B' ' 22' ' ' VAL . 55.1 t -66.1 -45.2 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.538 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.75 HD11 HD21 ' A' ' 37' ' ' LEU . 94.8 mt -49.05 -53.31 20.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.648 171.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 11.4 pt-20 -76.67 -22.27 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 59.7 tttm -72.94 -28.65 62.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.019 0.438 . . . . 0.0 110.024 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.63 -2.44 44.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 59.02 70.67 0.63 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.738 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 120.05 65.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.05 178.23 2.02 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.67 2.247 . . . . 0.0 111.32 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -63.16 -38.66 92.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.118 0.485 . . . . 0.0 110.233 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.88 -48.88 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.574 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.71 -38.5 58.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.87 -172.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -64.5 -48.07 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.547 0.213 . . . . 0.0 110.987 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.75 -43.64 94.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.117 0.484 . . . . 0.0 110.442 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 ttm -66.44 -43.89 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.339 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.81 22.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.018 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 23' ' ' LEU . 4.6 mm? -55.9 -43.98 77.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.55 -46.5 81.13 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.948 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.76 -30.19 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.16 -24.05 61.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.948 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -72.87 -50.42 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 177.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 p -66.47 -31.44 72.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.231 0.539 . . . . 0.0 110.16 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -54.0 -32.11 53.11 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.26 174.432 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 32.0 mt -87.11 -38.72 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.018 0.437 . . . . 0.0 110.538 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.621 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 72.8 mt -60.4 -46.24 90.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.701 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 29.4 mt-10 -87.25 2.29 50.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.996 -177.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -94.24 -51.56 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.619 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -114.34 -28.66 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -89.56 127.85 53.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.663 0.268 . . . . 0.0 111.311 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.52 149.0 92.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.503 2.135 . . . . 0.0 111.404 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -53.6 -36.73 62.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.7 -52.09 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.776 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.455 ' O ' HG22 ' A' ' 57' ' ' VAL . 15.3 m -77.65 -20.54 53.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.733 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.621 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 37.4 ttm180 -56.25 -38.88 71.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.33 -37.16 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.731 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.42 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' SER . 99.5 t -61.4 -39.61 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 178.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.26 93.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.917 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.08 -44.25 97.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.774 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.18 -31.84 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.696 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.93 -44.23 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.5 88.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.735 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -61.6 -40.7 95.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.483 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.53 94.64 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.387 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 HD23 ' OG1' ' B' ' 42' ' ' THR . 4.7 mt -65.14 -46.93 78.93 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.94 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.206 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.22 -44.19 97.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.551 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.657 ' HB3' HG21 ' B' ' 42' ' ' THR . 23.1 t -70.54 -47.71 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' B' ' 55' ' ' GLN . 78.6 t -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.42 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.725 -178.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -62.92 -25.55 68.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -35.67 81.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.001 0.429 . . . . 0.0 110.311 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -70.97 -42.19 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.683 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 16' ' ' ILE . 40.0 t -60.67 -49.42 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.959 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.36 -39.11 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -57.88 -42.66 85.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.817 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.712 ' O ' HG12 ' B' ' 19' ' ' ILE . 9.4 mp -73.63 -41.12 63.19 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.3 mt -53.58 -46.29 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 110.427 177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.485 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -66.15 -35.38 80.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.256 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.83 -44.64 63.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.858 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.785 HG21 HG23 ' A' ' 19' ' ' ILE . 7.2 mm -63.99 -34.32 67.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.492 HD12 ' HE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -56.18 -49.29 74.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.463 176.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 93.0 t -56.01 -47.7 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.497 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.543 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.5 t -51.17 -60.52 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 O-C-N 123.38 0.425 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' A' ' 15' ' ' LEU . 92.2 mt -51.84 -50.81 60.15 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.234 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -86.74 -0.64 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -170.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 47.2 mtmt -69.57 -43.82 72.1 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 167.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.608 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' HZ1' ' B' ' 27' ' ' LYS . 8.3 mtmp? 65.72 41.23 4.03 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.135 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 134.5 95.9 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.04 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.2 169.12 12.73 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.585 2.19 . . . . 0.0 111.457 177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -56.68 -38.61 72.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -54.71 43.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.345 0.593 . . . . 0.0 110.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.614 HD13 HG23 ' A' ' 12' ' ' VAL . 39.6 tp -68.32 -31.15 70.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.078 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' HD22 ' B' ' 37' ' ' LEU . 49.0 m -61.0 -49.46 77.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.537 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.05 -38.39 88.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.451 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -60.93 -47.59 85.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.713 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.41 76.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.518 HD21 HD12 ' B' ' 23' ' ' LEU . 4.2 mm? -58.74 -48.95 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.93 -49.57 70.31 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.754 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -71.19 -32.34 68.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.768 -0.254 . . . . 0.0 111.201 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.47 -51.62 54.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.692 0.282 . . . . 0.0 110.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.548 HG22 ' HB3' ' A' ' 37' ' ' LEU . 87.8 t -59.75 -44.09 93.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.042 0.449 . . . . 0.0 111.02 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 68' ' ' SER . 6.2 m -73.66 -21.16 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.733 -176.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -74.31 -28.93 61.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.34 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.78 -34.04 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.621 . . . . 0.0 109.433 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.477 HD22 HG22 ' B' ' 49' ' ' VAL . 87.8 mt -63.3 -32.74 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.736 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.22 -61.27 2.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -87.36 -31.02 20.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 19.7 tptm -103.54 -39.96 6.52 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.819 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.477 HG22 HD22 ' B' ' 45' ' ' LEU . 91.2 t -85.09 134.52 40.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.94 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 81.5 Cg_exo -49.15 141.96 22.11 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.142 2.562 . . . . 0.0 112.642 176.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -49.92 -52.09 35.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.598 -174.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.61 -35.92 75.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 0.0 111.116 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -70.71 -21.72 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.965 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 96.4 mtt180 -48.43 -45.34 36.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.405 ' HA ' HG13 ' A' ' 69' ' ' VAL . 52.2 mt-30 -59.29 -52.87 63.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 111.459 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.91 -32.42 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.08 -46.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.007 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.025 0.441 . . . . 0.0 110.373 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.678 ' HG2' ' HZ1' ' B' ' 63' ' ' LYS . 33.4 tt0 -63.1 -40.51 97.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.34 -38.93 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 110.429 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.74 -43.46 97.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.961 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.19 82.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.678 ' HZ1' ' HG2' ' B' ' 59' ' ' GLU . 58.1 mttp -62.64 -47.81 82.09 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.25 90.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.082 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -50.41 69.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.145 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.77 79.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.711 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.97 -41.2 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.816 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.7 m -64.91 -36.22 83.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.74 -43.97 76.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.51 0.672 . . . . 0.0 110.277 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -73.4 -16.43 61.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.736 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.743 179.806 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.742 0.306 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.88 105.99 14.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.409 . . . . 0.0 110.726 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.2 mt -118.65 98.68 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.381 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -79.66 120.66 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.241 0.543 . . . . 0.0 109.633 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -124.28 133.89 53.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.313 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -66.24 -44.73 82.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.831 0.824 . . . . 0.0 108.836 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -94.5 87.76 5.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.113 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 m -66.97 163.41 19.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.189 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -60.6 -30.81 70.06 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.42 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -63.51 -43.26 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.36 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 11' ' ' GLN . 5.4 tp-100 -62.34 -51.41 67.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.156 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' SER . 28.0 t -59.67 -50.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.8 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.99 -39.12 91.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.781 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -69.38 -34.06 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.836 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.3 -45.07 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.4 mt -61.9 -44.42 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 176.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -75.16 -40.64 59.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.763 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 pt -71.09 -26.09 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.283 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 171.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 17' ' ' ALA . 72.6 t -60.82 -38.52 79.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.091 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.577 HG23 HG21 ' B' ' 22' ' ' VAL . 97.4 t -61.21 -48.02 90.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD12 HD23 ' A' ' 37' ' ' LEU . 98.8 mt -58.45 -49.37 77.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.396 176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.01 -21.83 62.23 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.422 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -53.69 -35.34 61.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.339 0.59 . . . . 0.0 110.33 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 4.6 p80 -115.98 6.77 14.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.064 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? 35.42 49.63 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.489 1.118 . . . . 0.0 112.307 -176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.572 ' HB1' ' HD1' ' A' ' 26' ' ' HIS . . . -54.12 143.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.446 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.37 159.95 47.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 111.503 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.08 -46.6 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.726 -178.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -53.27 -50.68 64.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -71.33 -34.65 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.862 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -65.86 -43.33 88.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.587 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.2 mt -60.72 -37.18 80.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.85 0.357 . . . . 0.0 110.223 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.54 -50.76 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.29 72.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 HD12 ' A' ' 23' ' ' LEU . 4.6 mm? -62.71 -43.62 98.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.3 -44.29 96.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -69.1 -30.43 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.776 -0.249 . . . . 0.0 110.789 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 50.2 t -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.648 0.261 . . . . 0.0 110.732 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 37' ' ' LEU . 99.1 t -64.72 -52.12 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.937 175.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -63.33 -31.94 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.231 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -54.51 -42.35 70.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.031 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 25.6 mt -73.75 -32.89 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.675 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 97.2 mt -64.7 -51.9 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.323 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -71.04 -12.19 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.82 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -99.63 -59.9 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.352 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -95.1 -38.99 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -172.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 19.5 t -91.25 118.53 68.54 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.927 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -59.26 154.0 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 111.606 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 m -54.08 -40.57 67.33 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -37.77 77.82 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.585 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 m -80.57 -25.18 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.846 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.635 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 34.2 ttm180 -57.63 -35.58 70.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.131 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.1 -49.74 47.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.65 92.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.467 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.442 ' HA ' ' HG2' ' A' ' 60' ' ' GLN . 88.0 t -63.45 -39.59 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.81 -42.15 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 4.0 pt20 -71.87 -33.57 68.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.536 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.32 71.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.16 -40.03 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.62 64.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.42 -47.73 84.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.75 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.856 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -79.27 -18.17 53.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.0 m -69.85 -41.05 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 61.8 t -69.49 -38.32 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.893 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 73' ' ' LEU . 33.3 ttmt -71.88 -10.12 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.619 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -83.39 -42.32 17.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -77.65 -13.85 59.79 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.487 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 70' ' ' LYS . 93.6 mt -64.11 -59.05 4.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 68.18 -68.1 0.18 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.121 0.888 . . . . 0.0 112.242 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.2 p80 37.46 72.75 0.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.107 0.963 . . . . 0.0 112.486 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 72.57 -4.08 2.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.872 174.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 58.64 29.87 19.12 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -136.61 -86.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.54 . . . . 0.0 110.408 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 t60 177.0 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t60 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.294 172.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.018 0.437 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.71 75.29 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.799 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 tp -136.65 136.55 48.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.676 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -128.23 119.32 24.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -85.47 118.34 24.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -67.21 -40.25 86.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -146.14 171.74 14.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.34 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 34.3 t -86.29 125.45 33.61 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.94 -49.75 72.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -65.5 -32.55 74.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 7.1 tp-100 -61.54 -56.3 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.264 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.05 -43.85 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.03 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.915 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.3 m -64.95 -35.32 80.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 26' ' ' HIS . 6.7 mp -61.41 -55.41 31.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.715 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -56.51 -48.11 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.152 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.601 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.99 -44.82 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.726 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.31 94.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.362 . . . . 0.0 110.759 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 15' ' ' LEU . 8.5 mt -67.65 -36.25 75.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.212 0.53 . . . . 0.0 110.04 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 38.6 mt -65.52 -37.83 87.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.133 177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.9 t -62.67 -35.97 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.613 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.577 HG21 HG23 ' A' ' 22' ' ' VAL . 61.0 t -61.19 -46.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.257 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.23 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.03 -52.17 45.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' HE3' HG11 ' B' ' 21' ' ' VAL . 89.1 mttt -53.15 -48.45 67.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.007 -177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.68 -16.91 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.984 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.472 ' HZ2' ' HB2' ' B' ' 27' ' ' LYS . 4.0 ttmp? 53.83 73.33 0.39 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.827 0.704 . . . . 0.0 109.934 -172.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.75 131.05 53.18 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.127 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.96 159.37 46.61 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.453 2.102 . . . . 0.0 111.037 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m -54.78 -40.99 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.02 -45.51 92.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.01 0.434 . . . . 0.0 110.746 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 12' ' ' VAL . 36.8 tp -69.08 -42.47 76.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.98 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.41 ' O ' HD21 ' B' ' 37' ' ' LEU . 13.2 p -63.86 -42.58 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.163 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.82 -38.88 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.1 ttm -63.77 -46.78 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.957 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.464 ' O ' HG22 ' B' ' 41' ' ' VAL . 3.3 mm? -60.01 -49.12 78.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.29 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -47.31 90.4 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.716 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.51 -32.73 72.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.833 -0.216 . . . . 0.0 111.042 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 41.9 t -65.38 -47.41 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.542 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 37' ' ' LEU . 94.3 t -60.0 -42.81 90.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.472 . . . . 0.0 110.433 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -68.11 -38.07 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.057 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.14 -27.5 68.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 92.1 mt -68.46 -40.09 81.17 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.312 0.577 . . . . 0.0 109.654 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.565 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.5 mt -65.84 -40.31 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.522 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.65 -10.97 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.714 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -99.42 -67.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 8.3 mmpt? -109.81 4.62 21.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -168.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.71 105.52 32.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.174 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.66 149.32 59.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 111.25 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -54.41 -33.47 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.31 0.244 . . . . 0.0 111.547 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.78 -48.86 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.779 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -85.44 -29.02 24.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.484 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.565 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 30.3 ttm180 -56.31 -37.38 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.36 -176.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.58 -44.55 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.747 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.6 -36.86 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.16 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 0.0 110.389 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.91 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.417 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.6 tm-20 -69.02 -39.84 79.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -60.21 -42.27 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.277 0.561 . . . . 0.0 109.778 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.68 -45.08 88.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.211 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.0 90.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 62.9 mttp -57.91 -59.8 4.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.93 81.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.84 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -175.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.37 92.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.641 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.06 -30.18 70.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.523 0.202 . . . . 0.0 111.085 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -66.25 -41.0 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.168 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.53 -49.64 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.088 0.47 . . . . 0.0 110.543 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -25.38 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.621 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -65.07 -19.5 66.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.054 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -94.4 -29.23 15.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.073 0.463 . . . . 0.0 110.537 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.46 -46.89 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.707 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.71 87.13 7.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.378 0.608 . . . . 0.0 111.254 -173.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -132.55 31.44 4.01 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -131.08 42.26 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.841 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -77.27 76.25 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.74 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -163.69 88.38 0.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.849 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -118.08 -0.53 11.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.239 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.184 176.33 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.587 0.232 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.92 -43.42 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.869 -0.15 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -62.77 152.05 7.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.578 0.227 . . . . 0.0 110.814 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -51.63 122.68 8.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.525 0.679 . . . . 0.0 111.775 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -104.79 12.06 33.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.427 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -81.53 103.68 11.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.754 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 75.22 -178.16 0.16 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.224 0.952 . . . . 0.0 111.268 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 12' ' ' VAL . 47.9 t -164.43 141.0 6.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.575 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.25 -45.28 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.706 0.289 . . . . 0.0 110.494 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -62.81 -44.75 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.77 -58.28 8.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.2 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 8' ' ' SER . 61.6 t -61.05 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.74 -44.07 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -64.08 -37.92 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.734 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.734 ' O ' HG12 ' A' ' 19' ' ' ILE . 7.2 mp -63.37 -56.39 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.556 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.7 mt -51.59 -47.29 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 O-C-N 123.487 0.492 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -58.02 -50.18 74.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.218 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.41 -36.21 83.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.442 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.734 HG12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -59.47 -46.35 92.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.588 0.709 . . . . 0.0 109.43 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.95 -35.48 76.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.081 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' O ' ' A' ' 17' ' ' ALA . 69.3 t -60.89 -37.74 77.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.328 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 HG22 ' B' ' 22' ' ' VAL . 79.5 t -61.61 -51.32 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.764 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD12 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -52.34 -51.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.642 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -72.57 -24.36 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 ttmm -64.84 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 109.902 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.9 -5.51 59.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.885 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm 58.82 44.15 17.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 124.65 91.04 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.197 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 162.66 13.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.469 2.112 . . . . 0.0 111.143 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' OG1' ' HE3' ' B' ' 48' ' ' LYS . 8.8 m -55.34 -39.68 70.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.132 0.492 . . . . 0.0 110.477 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 35' ' ' MET . 24.4 t70 -55.41 -49.52 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.678 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 59.2 tp -74.54 -40.99 61.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.741 -176.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 8.3 p -64.83 -39.4 93.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.881 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.583 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 65.1 mtt -59.8 -55.08 38.75 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.272 173.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.24 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.461 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 HD21 HD12 ' A' ' 23' ' ' LEU . 54.5 mt -66.74 -41.42 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.583 0.23 . . . . 0.0 110.741 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' B' ' 61' ' ' PHE . . . -58.44 -48.41 84.2 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.21 -36.79 83.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 53.0 t -59.35 -55.91 28.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.54 -43.38 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.522 ' HA ' HD11 ' A' ' 45' ' ' LEU . 4.8 m -71.25 -29.37 65.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.933 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.04 -40.52 91.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.011 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 95.3 mt -61.33 -37.58 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 109.942 176.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD11 ' HA ' ' A' ' 42' ' ' THR . 37.2 mt -60.46 -55.52 32.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.762 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.651 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 2.8 pp20? -77.34 -5.39 49.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.851 0.358 . . . . 0.0 111.838 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -90.47 -52.82 4.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.16 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' OG1' ' B' ' 30' ' ' THR . 12.2 tmtt? -98.16 -38.29 9.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.329 -173.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -94.93 129.03 37.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 111.443 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.22 150.75 64.25 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.143 2.562 . . . . 0.0 111.904 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.3 m -47.9 -43.16 28.58 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -60.36 -59.15 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 110.885 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -75.08 -15.42 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.865 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.651 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 39.6 ttm180 -57.28 -40.15 77.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.133 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 27.1 mt-30 -71.91 -45.77 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -55.42 -50.46 69.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.446 -178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.83 -39.31 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -58.93 -46.18 88.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 69.6 mt-10 -61.21 -50.48 72.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.225 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.3 mt-30 -55.39 -47.37 75.97 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.05 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.38 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.363 . . . . 0.0 111.177 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.15 -44.36 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.46 94.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.22 -54.94 41.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.103 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.219 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.95 -37.7 88.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 m -67.41 -35.8 80.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.6 -40.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -65.02 -45.37 85.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.697 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -63.93 -20.0 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -77.53 -23.09 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.958 0.408 . . . . 0.0 110.903 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.06 -63.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -110.19 115.82 30.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -81.43 -178.38 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.468 0.651 . . . . 0.0 112.353 -170.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -140.86 126.71 19.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.212 174.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -118.45 121.3 39.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.023 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -54.8 -51.22 66.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 172.04 -49.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.367 1.042 . . . . 0.0 109.147 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.586 179.061 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.803 0.335 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.94 99.33 2.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 tt -141.22 110.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.419 0.628 . . . . 0.0 110.083 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.14 -2.42 57.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.979 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 59.48 54.86 4.4 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.195 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -75.63 89.16 2.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 5.9 m-85 59.02 -149.02 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.422 ' O ' HG21 ' B' ' 12' ' ' VAL . 22.9 t -165.92 150.4 8.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -58.49 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 109.907 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.9 m -74.95 -39.82 61.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.214 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.406 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 22.1 tp60 -60.26 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.298 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 16' ' ' ILE . 48.9 t -67.01 -46.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.654 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.82 -42.28 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.752 0.31 . . . . 0.0 110.98 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.1 t -65.16 -34.9 79.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.384 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.55 ' O ' HG13 ' B' ' 19' ' ' ILE . 39.1 tp -66.48 -42.26 87.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 12' ' ' VAL . 73.2 mt -58.54 -45.79 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.07 0.462 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.588 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -57.84 -40.12 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.067 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' B' ' 14' ' ' SER . 12.6 mm-40 -55.45 -48.05 75.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.254 0.549 . . . . 0.0 110.643 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 15' ' ' LEU . 5.3 mt -66.5 -37.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.604 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.41 -32.78 74.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 17' ' ' ALA . 75.3 t -60.63 -47.06 94.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 22' ' ' VAL . 61.4 t -59.11 -58.01 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.8 mt -46.16 -58.32 3.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.07 -17.42 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -76.69 -20.6 56.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.23 0.538 . . . . 0.0 110.023 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -100.59 -5.77 26.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.931 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm 61.34 38.25 16.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.974 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.69 118.16 54.81 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.684 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.52 163.96 11.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.62 2.213 . . . . 0.0 111.751 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.478 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 20.6 m -56.66 -44.34 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.204 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.133 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -69.24 -41.33 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 110.29 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -61.96 -42.1 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.037 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.5 mt -59.77 -45.2 92.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.8 ttp -68.37 -40.24 81.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.025 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.515 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.474 ' O ' HG21 ' B' ' 41' ' ' VAL . 4.6 mm? -54.75 -41.69 70.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.53 -42.73 94.15 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.803 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -74.25 -27.09 60.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 82.6 m -66.37 -48.16 71.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.78 0.324 . . . . 0.0 110.374 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 37' ' ' LEU . 47.8 t -61.26 -46.67 96.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.647 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -39.67 84.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.739 0.304 . . . . 0.0 111.467 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -57.86 -36.38 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.1 mt -81.98 -44.26 16.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.652 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 10.3 tt -60.53 -35.77 76.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.719 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.18 -46.75 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -90.61 -22.49 21.2 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.414 ' HE3' ' OG1' ' A' ' 30' ' ' THR . 28.9 mtpp -105.38 -12.26 16.1 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.202 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.652 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t -119.11 130.76 24.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.21 142.73 27.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.175 2.584 . . . . 0.0 112.611 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.0 t -50.48 -44.31 55.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.879 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -63.35 -25.62 68.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -101.58 -3.9 27.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.514 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -61.74 -46.94 87.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.577 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -67.7 -31.12 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -51.06 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.252 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.77 -36.66 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.546 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.56 92.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -65.66 -43.29 89.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.958 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.21 94.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.712 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.409 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 47.5 t80 -61.71 -50.65 71.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.07 97.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.273 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.58 89.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.427 HD21 ' OG1' ' A' ' 42' ' ' THR . 3.5 mt -65.46 -47.34 76.47 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.24 90.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.056 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -34.14 76.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -75.48 -23.22 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -95.32 -50.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.75 -21.07 61.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' B' ' 75' ' ' HIS . 12.9 p -66.38 -25.35 66.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.971 0.415 . . . . 0.0 111.013 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -72.39 -28.52 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -59.25 4.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.98 16.93 2.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 110.956 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' B' ' 71' ' ' SER . 18.3 t60 -91.58 -12.55 34.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -88.47 123.31 32.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.807 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 69.5 132.75 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.951 0.782 . . . . 0.0 110.765 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -81.01 106.96 13.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.358 0.599 . . . . 0.0 111.331 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -136.9 -35.29 0.71 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.474 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.92 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.627 0.251 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.32 101.17 13.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.012 0.434 . . . . 0.0 110.548 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.3 mt -97.13 120.78 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.341 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.491 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 4.9 tp60 -124.79 157.68 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -69.05 104.61 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 7' ' ' TYR . 6.0 ttpm? 73.73 -19.97 0.32 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.99 0.916 . . . . 0.0 112.247 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' CE1' HD13 ' B' ' 32' ' ' LEU . 25.5 m-85 -114.98 144.76 43.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.469 0.652 . . . . 0.0 112.404 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -111.07 144.77 39.67 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 168.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.78 -40.88 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -65.03 -36.92 85.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.525 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.27 -53.47 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.457 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 16' ' ' ILE . 47.6 t -59.14 -48.3 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.713 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.63 -36.33 82.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -56.77 -47.97 78.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.767 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.695 ' O ' HG12 ' A' ' 19' ' ' ILE . 10.4 mp -60.27 -51.01 71.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.341 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.1 mt -54.35 -46.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 O-C-N 123.5 0.5 . . . . 0.0 110.979 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.84 -42.29 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.278 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.27 -36.05 71.59 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.643 0.259 . . . . 0.0 111.012 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.757 HG23 HG23 ' B' ' 19' ' ' ILE . 10.1 mm -59.26 -41.21 83.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 23' ' ' LEU . 96.0 mt -67.25 -32.36 73.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.167 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.8 t -58.3 -44.71 88.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.663 0.268 . . . . 0.0 110.445 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.51 -50.09 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.531 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD12 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -53.23 -48.75 67.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.509 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' CD ' ' HZ2' ' A' ' 27' ' ' LYS . 1.2 mm-40 -67.46 -36.16 80.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.169 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 20.1 ttmm -72.36 -28.42 63.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.805 0.336 . . . . 0.0 110.682 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.44 -22.22 44.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HZ2' ' CD ' ' A' ' 24' ' ' GLU . 14.4 tppt? 61.54 47.59 6.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.66 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -76.18 130.08 78.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.801 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.8 Cg_exo -64.84 169.22 12.01 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.852 2.368 . . . . 0.0 111.212 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.428 HG23 ' HD3' ' B' ' 48' ' ' LYS . 63.6 m -52.3 -43.45 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.057 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.73 ' HB3' ' HH ' ' B' ' 7' ' ' TYR . 1.6 m-20 -52.9 -59.82 4.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.923 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD12 HG23 ' B' ' 12' ' ' VAL . 35.4 tp -71.69 -31.95 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.164 -173.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' HD22 ' A' ' 37' ' ' LEU . 22.7 t -62.19 -47.41 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.21 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.48 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.5 ttm -66.71 -42.22 86.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.68 92.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.56 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD21 HD12 ' A' ' 23' ' ' LEU . 4.3 mm? -61.93 -50.93 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.38 -47.16 77.33 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.994 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.8 -41.42 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.713 0.292 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.4 -37.25 86.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 37' ' ' LEU . 95.8 t -59.91 -48.03 89.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.598 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -34.54 67.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 0.0 111.609 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -66.62 -30.86 71.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.52 -39.05 74.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.298 174.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 96.1 mt -59.95 -48.86 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.17 -12.12 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.92 -65.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.09 -9.45 55.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.917 -170.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 48.5 t -112.45 133.24 21.85 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.984 -175.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.3 Cg_exo -55.41 150.14 43.45 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.089 2.526 . . . . 0.0 112.232 175.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -51.2 -56.99 9.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.09 -34.51 76.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.462 . . . . 0.0 110.971 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 m -71.32 -27.38 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 95.1 mtt180 -56.92 -33.23 66.74 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.688 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -71.02 -53.01 16.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.986 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -73.56 -37.85 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.974 -174.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.21 -41.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.56 85.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 0.0 110.26 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.71 -52.21 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.633 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 37.6 mm-40 -68.68 -29.91 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.437 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -64.46 -46.56 82.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.179 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.73 98.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.82 -42.21 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.919 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.36 85.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.21 -50.86 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.945 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.12 77.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.68 -38.42 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -63.76 -37.68 88.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.46 -38.92 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.352 0.596 . . . . 0.0 110.358 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -77.06 -2.43 34.05 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.156 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m -93.24 0.54 57.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.194 0.521 . . . . 0.0 110.441 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -80.54 -44.14 19.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.7 7.89 43.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.952 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -32.06 -55.65 0.31 Allowed 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.21 0.944 . . . . 0.0 113.454 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -105.99 101.32 10.82 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -112.79 112.2 23.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -96.29 127.59 42.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -51.33 114.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.819 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -110.64 129.94 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.936 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.425 177.338 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.584 0.23 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.76 86.56 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.787 0.327 . . . . 0.0 111.045 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -83.15 104.18 11.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -102.65 105.89 16.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.467 -175.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -117.22 -172.94 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.539 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -64.32 91.77 0.08 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.82 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.73 ' HH ' ' HB3' ' A' ' 31' ' ' ASP . 4.3 m-85 156.14 -170.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.669 1.588 . . . . 0.0 109.157 167.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.468 ' O ' HG22 ' B' ' 12' ' ' VAL . 39.2 m -147.57 120.81 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.692 0.282 . . . . 0.0 110.261 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.1 -49.67 76.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.201 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.0 m -62.28 -39.11 91.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.46 -50.98 69.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 32' ' ' LEU . 58.7 t -59.62 -50.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.933 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.98 -32.31 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.888 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 59.5 m -66.06 -41.0 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.528 ' O ' HG13 ' B' ' 19' ' ' ILE . 4.8 mt -58.86 -58.1 10.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.921 172.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 80.1 mt -46.16 -49.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.532 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.57 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -60.73 -50.64 72.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.077 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.89 -31.98 63.37 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.572 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.757 HG23 HG23 ' A' ' 19' ' ' ILE . 78.7 mt -65.4 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.058 0.456 . . . . 0.0 110.047 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.2 mt -66.6 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.57 HG22 ' O ' ' B' ' 17' ' ' ALA . 75.5 t -61.01 -38.34 79.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.6 -52.01 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.58 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.753 HD13 HD21 ' B' ' 37' ' ' LEU . 95.8 mt -49.98 -54.43 20.06 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.782 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -79.63 -4.81 53.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.46 -35.96 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.75 -16.23 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.921 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 tttm 60.62 47.79 7.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 108.971 -173.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.14 133.65 95.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.317 -176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.82 163.94 10.5 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.867 2.378 . . . . 0.0 111.448 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 m -54.88 -43.55 73.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -73.19 -31.99 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.32 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.597 HD13 ' CE1' ' A' ' 7' ' ' TYR . 28.0 tp -74.95 -33.58 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.257 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m -61.22 -47.2 87.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.197 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.75 -35.7 79.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttm -67.31 -45.77 75.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.908 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.68 64.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.624 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.753 HD21 HD13 ' B' ' 23' ' ' LEU . 4.5 mm? -58.54 -52.1 67.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.321 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.105 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.12 -34.28 78.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.57 0.224 . . . . 0.0 110.569 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.567 ' HG ' HD11 ' A' ' 37' ' ' LEU . 49.0 t -68.56 -45.78 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.526 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 37' ' ' LEU . 96.4 t -57.1 -46.81 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.122 177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -68.04 -35.01 77.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.801 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -64.16 -35.75 81.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.425 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.43 -42.34 44.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.097 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.66 -49.57 77.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.701 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.49 -33.12 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -45.53 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.108 -0.37 . . . . 0.0 111.461 -173.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.428 ' HD3' HG23 ' A' ' 30' ' ' THR . 65.2 mttm -86.03 -33.37 21.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.817 -172.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.405 HG22 HG21 ' B' ' 57' ' ' VAL . 42.0 t -96.13 130.59 30.78 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.987 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.597 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 52.0 Cg_exo -55.46 145.8 66.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.796 2.331 . . . . 0.0 111.731 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -50.98 -39.92 56.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.051 0.453 . . . . 0.0 111.359 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.56 -25.52 64.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.965 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -101.23 -3.64 28.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.64 0.257 . . . . 0.0 111.304 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.2 mtt180 -66.3 -32.94 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.019 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -65.53 -42.41 92.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.304 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -52.84 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.374 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.405 HG21 HG22 ' B' ' 49' ' ' VAL . 33.5 m -68.29 -26.76 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.61 92.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -71.46 -37.73 71.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.74 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 97.1 mt-30 -70.3 -42.16 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.111 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.47 -47.22 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.08 85.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.304 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' B' ' 60' ' ' GLN . 16.9 tppt? -56.37 -56.48 20.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.413 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.057 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.1 -50.77 70.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.48 87.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -70.38 -22.3 62.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.741 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 64.3 m -74.12 -43.59 56.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 0.0 110.2 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 -43.36 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.4 . . . . 0.0 110.683 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -75.23 -16.07 60.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.1 p -90.79 -27.41 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.267 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -80.79 -18.6 47.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -94.01 -20.25 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.042 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' CE1' ' B' ' 79' ' ' HIS . 0.7 OUTLIER 70.19 160.48 0.21 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.182 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' B' ' 76' ' ' HIS . 86.6 m-70 -101.07 -153.16 0.44 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.293 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.422 ' H ' ' HB3' ' B' ' 75' ' ' HIS . 61.0 m-70 65.75 -168.34 0.21 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.127 -177.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -120.84 -26.37 5.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -126.86 121.09 30.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.016 172.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' B' ' 74' ' ' GLU . 95.2 m-70 -84.65 91.33 7.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.459 -167.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.824 0.345 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.75 152.99 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 pt -102.46 140.67 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.153 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 61.13 -163.0 0.26 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.697 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -156.5 149.8 24.36 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.394 -0.191 . . . . 0.0 110.529 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' B' ' 29' ' ' PRO . 24.2 tptm 76.28 -48.89 0.58 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.014 0.821 . . . . 0.0 110.941 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -148.22 146.0 28.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 12' ' ' VAL . 30.7 t -94.23 153.71 17.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.922 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.57 -34.58 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.325 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -61.52 -41.24 97.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.326 0.584 . . . . 0.0 109.92 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' HD11 ' A' ' 15' ' ' LEU . 53.7 tt0 -68.55 -48.96 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.634 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 8' ' ' SER . 47.8 t -57.11 -49.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.613 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.55 -40.78 92.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.7 t -58.2 -42.37 86.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HG ' ' ND1' ' B' ' 26' ' ' HIS . 10.5 mp -65.0 -49.47 70.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.196 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.2 mt -59.6 -45.27 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.526 0.516 . . . . 0.0 110.715 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -58.88 -45.26 90.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.38 -27.81 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.047 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.4 mt -68.33 -38.46 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 173.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 17' ' ' ALA . 94.9 t -58.82 -40.16 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.571 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.606 HG21 HG22 ' B' ' 22' ' ' VAL . 62.1 t -61.82 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.635 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD12 HD21 ' A' ' 37' ' ' LEU . 95.8 mt -53.29 -51.02 63.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.293 174.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -36.66 84.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.946 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.82 -26.69 68.87 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.408 ' HE2' ' CD ' ' B' ' 18' ' ' GLU . 82.8 m-70 -104.98 3.26 30.47 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.163 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 57.18 36.68 27.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.673 0.608 . . . . 0.0 110.846 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 116.32 21.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.821 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.4 158.71 55.78 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.415 2.077 . . . . 0.0 111.08 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.1 m -48.12 -48.16 34.14 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.308 0.38 . . . . 0.0 111.909 -176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.81 -50.16 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.347 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.7 -34.7 69.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -65.12 -42.04 94.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.7 mt -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.249 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.2 -47.38 82.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.337 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.96 -59.32 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.1 mm? -55.04 -51.09 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.945 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.09 -38.79 96.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.544 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.26 -43.56 97.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.441 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.6 t -57.62 -47.52 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.447 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -70.11 -32.8 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.403 0.62 . . . . 0.0 110.416 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -68.52 -37.14 79.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.247 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.67 -32.33 70.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.018 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 93.9 mt -60.42 -38.08 82.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.992 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.09 -44.82 68.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.874 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.745 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 mmp_? -100.13 -8.89 23.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -168.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -131.0 -8.18 3.9 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.206 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.6 t -123.97 135.39 26.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.06 142.65 99.58 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.338 2.026 . . . . 0.0 111.541 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -40.08 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -26.97 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -93.61 -21.52 19.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.803 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.7 mtt180 -51.13 -48.34 61.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.478 HE21 ' HA ' ' B' ' 70' ' ' LYS . 91.7 mt-30 -63.12 -36.82 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.38 -42.77 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.51 -37.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.124 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.88 95.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.455 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.27 -44.59 78.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 97.6 mt-30 -61.47 -39.95 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -63.97 -45.54 88.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.865 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' B' ' 62' ' ' ALA . . . -57.91 -43.94 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -57.86 -54.02 51.67 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.763 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.37 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.341 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.83 -57.09 10.95 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.98 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.753 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.54 -46.36 90.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.054 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.3 m -56.93 -37.6 71.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.2 t -75.13 -49.88 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.513 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.01 -37.87 46.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -172.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 86.2 p -78.66 -11.04 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.13 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.16 -62.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.731 ' HG2' ' H ' ' A' ' 75' ' ' HIS . 19.8 tt0 60.57 -149.58 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.084 173.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.731 ' H ' ' HG2' ' A' ' 74' ' ' GLU . 1.0 OUTLIER 78.08 -24.64 0.21 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.142 0.977 . . . . 0.0 112.066 176.15 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 67.16 10.91 8.07 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -89.33 -55.18 3.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.818 -0.551 . . . . 0.0 110.546 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -81.29 87.26 6.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.036 -174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -129.11 -1.43 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.596 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.696 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.049 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.968 0.413 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.48 103.95 13.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.2 tt -80.74 106.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.379 0.609 . . . . 0.0 111.991 -173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.68 -78.11 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.919 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -134.98 135.16 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -173.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' HZ1' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -78.43 -14.75 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.596 . . . . 0.0 109.74 173.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -85.75 142.99 28.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.064 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG21 ' B' ' 12' ' ' VAL . 40.9 t -74.91 136.83 41.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -55.98 -39.01 71.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.697 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 14' ' ' SER . 20.1 m -61.02 -36.54 79.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -71.44 -47.62 54.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.161 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.418 HG21 ' O ' ' B' ' 8' ' ' SER . 93.3 t -53.46 -55.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.369 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.408 ' HA ' HD11 ' B' ' 16' ' ' ILE . 43.8 mt-10 -76.66 -18.64 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.727 -176.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' B' ' 10' ' ' THR . 23.0 t -65.2 -45.53 84.41 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.748 ' O ' HG12 ' B' ' 19' ' ' ILE . 10.4 mp -59.98 -51.61 68.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.337 177.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.408 HD11 ' HA ' ' B' ' 13' ' ' GLU . 76.4 mt -51.53 -48.73 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.573 0.546 . . . . 0.0 110.736 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.551 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.71 -47.3 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.077 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.478 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.3 mt-10 -63.36 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.748 HG12 ' O ' ' B' ' 15' ' ' LEU . 7.9 mm -60.51 -44.58 96.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.96 -37.92 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.086 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.2 t -57.26 -39.19 66.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 22' ' ' VAL . 48.5 t -67.81 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.1 -30.92 71.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.743 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.66 -43.42 97.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 60.8 mttm -66.59 -19.93 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.643 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 33.3 m170 -88.49 -24.46 22.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.202 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.626 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 7.8 mtpm? 57.25 37.3 28.19 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.771 0.669 . . . . 0.0 110.199 -174.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.1 125.2 91.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.483 -176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.432 ' HG3' ' HE2' ' A' ' 6' ' ' LYS . 33.2 Cg_endo -65.1 167.21 16.65 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.761 2.308 . . . . 0.0 111.976 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -53.18 -46.41 68.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -67.36 -37.88 83.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.669 0.271 . . . . 0.0 111.487 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.22 -40.14 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.5 p -66.48 -47.17 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.787 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.57 -37.27 83.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.934 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.8 ttm -67.15 -40.44 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.638 ' HA ' ' ND2' ' B' ' 39' ' ' ASN . . . -71.43 -39.37 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.101 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG21 ' B' ' 41' ' ' VAL . 49.9 mt -65.37 -39.65 92.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.07 -43.62 93.23 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.624 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.638 ' ND2' ' HA ' ' B' ' 36' ' ' ALA . 6.2 p30 -80.66 -24.89 38.63 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.033 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.519 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 39.1 t -70.36 -44.37 68.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.709 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.599 HG22 ' HB3' ' A' ' 37' ' ' LEU . 84.6 t -61.0 -44.85 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.314 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -67.88 -32.85 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.287 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 17.0 t60 -63.88 -28.56 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.533 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 66.1 mt -71.53 -42.68 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.204 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.873 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 97.1 mt -62.8 -45.46 92.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.852 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.46 -15.35 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.233 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -96.65 -52.74 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -120.93 7.65 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -170.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.53 123.8 26.36 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.562 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.23 140.53 93.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.617 2.212 . . . . 0.0 111.598 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -46.86 -42.14 16.87 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.1 -55.66 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.919 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.433 ' O ' HG21 ' B' ' 57' ' ' VAL . 12.9 m -71.57 -24.98 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.873 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.0 ttm180 -57.64 -44.76 85.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.604 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.21 -36.61 79.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.214 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.36 77.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.433 HG21 ' O ' ' B' ' 53' ' ' SER . 98.9 t -66.04 -45.76 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.194 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.5 81.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.92 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.428 ' OE1' ' HE3' ' B' ' 63' ' ' LYS . 5.8 tp10 -57.38 -56.04 27.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.1 0.476 . . . . 0.0 110.709 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.42 -44.21 88.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.343 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.78 -44.73 95.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.954 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . . . -60.43 -44.3 95.91 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.136 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HE3' ' OE1' ' B' ' 59' ' ' GLU . 98.7 mttt -73.08 -37.82 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.3 99.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.517 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.36 -51.59 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.17 94.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.293 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 m -65.32 -44.87 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.54 -39.55 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.478 ' HA ' HE21 ' A' ' 55' ' ' GLN . 64.8 tttp -67.71 -52.21 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' B' ' 74' ' ' GLU . 32.8 t -71.22 -16.94 62.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.365 -175.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.861 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.05 -56.82 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' B' ' 71' ' ' SER . 33.9 mt-10 -91.94 93.16 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.868 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -81.22 163.46 23.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -103.18 96.62 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.289 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -154.32 147.3 24.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.156 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -146.78 106.26 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.242 0.544 . . . . 0.0 110.565 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -139.01 89.61 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 27.6 t60 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.407 174.831 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.64 147.87 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.806 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.0 mt -88.2 -31.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.471 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.79 -66.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.323 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t 63.14 -175.3 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.372 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -143.16 -60.51 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.681 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -112.15 109.37 19.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.935 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -100.07 -169.49 1.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.791 -174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -45.73 -47.1 15.38 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.597 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 m -50.28 -49.47 53.31 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.497 0.498 . . . . 0.0 111.748 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -70.8 -48.85 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.775 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.0 t -64.93 -49.99 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.467 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.81 -26.68 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.35 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 t -72.37 -35.21 68.43 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' O ' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -64.14 -54.35 35.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.798 176.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 12' ' ' VAL . 66.2 mt -54.68 -39.74 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.686 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -55.54 -49.46 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.203 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -72.07 -33.35 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.034 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 15' ' ' LEU . 58.4 mt -62.57 -38.6 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 109.817 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.12 -33.9 76.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.349 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 17' ' ' ALA . 96.7 t -67.12 -32.82 59.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG22 ' CG2' ' B' ' 22' ' ' VAL . 56.5 t -67.87 -40.92 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.46 -53.14 61.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.88 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.33 -19.11 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.33 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.58 -36.19 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 110.071 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' CE1' HD22 ' B' ' 15' ' ' LEU . 7.0 p80 -120.19 18.6 12.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.134 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt 78.41 -53.21 0.49 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.574 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 47.5 86.61 0.14 Allowed Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 123.982 0.802 . . . . 0.0 112.937 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.36 154.91 43.96 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.157 1.905 . . . . 0.0 111.101 174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.7 m -49.79 -43.13 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -52.96 -50.63 63.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD1' HG21 ' B' ' 12' ' ' VAL . 52.9 tp -69.25 -42.98 74.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.739 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -63.48 -40.43 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.528 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 84.1 mt -62.38 -45.91 91.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.674 0.273 . . . . 0.0 110.679 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.28 -38.41 91.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.035 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.22 -52.95 22.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.356 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -59.56 -40.64 87.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.64 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.89 -39.48 88.5 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.43 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.05 -34.62 57.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.79 -0.241 . . . . 0.0 110.971 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.56 0.219 . . . . 0.0 111.088 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.1 t -61.29 -46.59 96.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 110.237 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -63.72 -39.96 95.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.278 0.561 . . . . 0.0 110.701 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.932 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.2 -39.29 75.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.83 0.347 . . . . 0.0 110.453 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD21 HG22 ' A' ' 49' ' ' VAL . 96.1 mt -61.2 -41.55 97.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.59 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.31 -12.58 61.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.541 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.6 mmm180 -102.99 -67.28 0.89 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HE3' ' OG1' ' B' ' 30' ' ' THR . 44.6 mtmt -106.61 16.53 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.06 -171.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG22 HD21 ' A' ' 45' ' ' LEU . 46.9 t -123.48 123.63 26.42 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -56.64 140.67 90.77 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.848 2.365 . . . . 0.0 111.593 177.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.498 ' HB3' HD21 ' B' ' 73' ' ' LEU . 9.2 m -55.43 -30.61 60.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.91 -174.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.34 -26.42 61.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.946 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -104.55 -9.63 18.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.3 mtt180 -58.26 -43.11 87.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.883 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 mp0 -62.09 -43.74 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.605 -178.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.5 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.681 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.92 -42.67 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.498 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.32 94.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.451 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 56.4 mt-10 -62.67 -49.11 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -71.94 -30.81 65.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.142 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.71 -38.52 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 109.529 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.32 -37.35 68.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.064 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.314 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.29 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.866 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.4 mp -59.29 -47.78 84.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.25 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.303 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.69 -38.48 70.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' LEU . 61.3 t -63.7 -43.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -63.63 -52.7 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.217 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -57.84 -31.0 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.756 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.36 -35.68 79.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.955 0.407 . . . . 0.0 110.822 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.839 HD13 ' HB3' ' B' ' 51' ' ' SER . 52.6 mt -101.05 -14.47 17.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.605 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -78.76 104.63 9.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -169.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 24.8 t60 -178.02 -57.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.29 166.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -96.94 120.4 37.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -124.18 157.97 33.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.493 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -116.57 -35.09 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.82 0 O-C-N 124.697 1.248 . . . . 0.0 108.867 171.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.63 -172.9 4.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.494 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt 67.28 -71.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 123.78 0.675 . . . . 0.0 111.646 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.491 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 5.8 tp60 -78.04 116.78 18.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.013 0.435 . . . . 0.0 110.478 -177.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -105.68 121.48 44.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.299 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' B' ' 7' ' ' TYR . 0.5 OUTLIER -65.73 -30.63 71.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' B' ' 6' ' ' LYS . 49.4 m-85 -133.33 146.71 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -78.92 149.15 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 172.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -58.48 -39.39 79.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -61.78 -24.21 66.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.86 -48.26 69.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 16' ' ' ILE . 21.2 t -71.22 -45.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.17 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -55.53 -55.07 36.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.962 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -73.49 -21.7 60.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.192 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.544 HD22 ' CE1' ' A' ' 26' ' ' HIS . 19.8 tp -68.23 -42.71 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.2 mt -54.27 -47.1 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -63.77 -37.01 85.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.347 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 22' ' ' VAL . 7.8 tp10 -64.03 -46.55 83.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.252 0.548 . . . . 0.0 109.958 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 15' ' ' LEU . 17.5 mt -67.91 -33.54 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.335 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.2 mt -64.73 -39.09 93.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 17' ' ' ALA . 82.9 t -59.59 -39.66 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.33 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.686 ' CG2' HG22 ' A' ' 22' ' ' VAL . 16.7 t -55.91 -56.49 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.445 177.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.09 -42.38 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.997 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.97 -46.52 90.38 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 29.2 mtpp -63.58 -16.23 60.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.908 -177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -108.71 -4.05 17.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.658 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 56.65 36.22 27.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.435 0.636 . . . . 0.0 110.148 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 123.03 76.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.837 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.0 158.04 31.45 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.898 2.398 . . . . 0.0 111.534 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 5.1 m -55.81 -47.47 77.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -59.34 -48.29 82.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.9 -43.52 98.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.0 m -62.97 -48.1 80.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.97 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.0 mt -61.7 -41.53 97.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.043 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.7 ttm -63.14 -44.09 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.198 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.0 93.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 33' ' ' SER . 60.5 mt -66.77 -40.95 88.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.58 90.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.025 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.58 -32.58 74.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.519 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.471 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.3 t -63.35 -53.69 48.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.516 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.494 HG21 ' O ' ' B' ' 37' ' ' LEU . 65.6 t -57.67 -44.37 85.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -61.38 -40.63 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.578 . . . . 0.0 110.562 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -74.29 -27.55 60.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.082 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 95.4 mt -67.45 -36.49 81.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.019 0.437 . . . . 0.0 109.915 175.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.694 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.464 ' HA ' ' NH2' ' B' ' 54' ' ' ARG . 42.2 mt-10 -67.09 -22.15 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.832 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' B' ' 47' ' ' ARG . 0.6 OUTLIER -85.48 -34.27 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -170.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -130.51 -30.61 1.87 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.949 -0.701 . . . . 0.0 112.477 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.6 123.37 65.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.524 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.598 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.49 148.47 80.76 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.704 2.269 . . . . 0.0 111.391 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.839 ' HB3' HD13 ' A' ' 73' ' ' LEU . 14.9 m -56.7 -38.34 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.887 0.375 . . . . 0.0 111.318 -175.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.43 -43.06 99.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.879 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.453 ' O ' HG22 ' B' ' 57' ' ' VAL . 14.5 m -76.95 -31.19 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.3 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.9 mtt180 -51.7 -37.51 51.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -57.33 -52.45 65.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.193 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.93 -31.18 59.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.207 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.453 HG22 ' O ' ' B' ' 53' ' ' SER . 96.1 t -64.3 -46.59 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.784 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.84 -48.15 80.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.63 -35.08 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.24 -49.61 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.136 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.82 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.628 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -61.31 -45.69 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.546 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.99 78.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.856 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -61.28 -48.42 81.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.79 78.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.538 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.3 -38.84 92.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.235 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -63.42 -47.4 82.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.37 -42.47 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.52 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.37 -36.78 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.4 t -62.55 -25.68 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.823 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -73.67 -23.17 59.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.301 0.572 . . . . 0.0 110.226 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 51' ' ' SER . 88.1 mt -100.01 -12.71 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.3 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -82.72 146.92 28.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.132 0.492 . . . . 0.0 111.045 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.27 120.06 20.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.732 -172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -70.17 112.21 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.651 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -89.31 -172.11 3.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -106.22 58.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.493 0.663 . . . . 0.0 111.308 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.59 -46.89 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.902 171.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.13 -82.56 0.55 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.317 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mm 56.26 93.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 123.787 0.68 . . . . 0.0 111.824 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.09 111.8 24.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p 49.08 23.39 0.74 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 69.94 -58.64 0.53 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.029 0.531 . . . . 0.0 111.303 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.29 155.31 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p -69.39 144.86 53.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.976 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.97 -54.86 33.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.642 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -57.73 -36.74 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' HD12 ' A' ' 15' ' ' LEU . 53.4 tt0 -63.27 -53.29 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.8 t -64.03 -43.35 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.082 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.62 -52.09 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.674 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 p -66.73 -30.8 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.367 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -68.54 -47.84 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.738 176.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.4 mt -58.27 -44.48 88.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.341 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -55.99 -44.25 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.262 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HG21 ' A' ' 22' ' ' VAL . 9.6 tp10 -60.71 -44.42 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 15' ' ' LEU . 17.5 mt -65.62 -36.53 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.31 -38.39 90.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.274 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 17' ' ' ALA . 95.3 t -64.04 -31.69 54.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.439 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.781 HG23 HG21 ' B' ' 22' ' ' VAL . 84.1 t -59.95 -55.65 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.63 0.252 . . . . 0.0 110.612 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.75 -51.66 66.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -44.17 84.73 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.092 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 8.2 ttpm? -64.71 -24.59 67.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.704 -176.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -94.98 -2.44 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 tttp 63.47 31.07 15.17 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.66 . . . . 0.0 110.152 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.21 130.79 64.58 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.166 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.92 157.21 62.66 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.47 2.113 . . . . 0.0 111.457 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -54.23 -38.2 65.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.635 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.4 -44.4 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD13 HG21 ' B' ' 12' ' ' VAL . 40.1 tp -73.11 -31.16 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.228 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -63.33 -47.22 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.422 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.87 -39.79 90.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.381 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -62.58 -46.16 89.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.1 77.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.278 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.64 76.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -70.2 -35.24 73.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.406 0.146 . . . . 0.0 110.808 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 t -60.87 -52.31 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.6 t -59.38 -44.62 92.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.67 -32.53 71.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.744 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -69.62 -27.45 65.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.904 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.42 -36.57 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.522 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 90.2 mt -64.79 -31.91 73.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.651 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 7.3 pt-20 -87.04 -14.32 41.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 21.6 mmt180 -107.43 -62.51 1.41 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -84.9 -13.91 49.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.0 t -110.65 129.22 24.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.629 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.48 151.39 85.06 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.32 2.014 . . . . 0.0 111.299 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 m -53.47 -30.69 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.693 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -53.08 57.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.152 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -94.82 -11.74 28.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.699 0.285 . . . . 0.0 111.131 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.578 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 41.1 ttm180 -54.57 -42.2 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.485 -177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -78.14 -41.01 36.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.247 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.28 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.699 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.7 -38.83 77.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.476 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.43 73.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.221 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 26.5 mt-10 -67.84 -45.23 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.674 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.74 -39.46 91.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.91 -42.24 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.83 ' HB2' ' HB1' ' B' ' 62' ' ' ALA . . . -60.57 -47.12 87.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.312 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 54.5 mttm -62.25 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.65 97.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.93 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.66 -51.97 67.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.35 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.21 95.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.493 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.85 -30.57 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -67.11 -36.55 82.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.921 0.391 . . . . 0.0 110.24 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG11 ' NE2' ' B' ' 55' ' ' GLN . 15.8 t -75.06 -39.99 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.088 0.47 . . . . 0.0 110.327 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 53.3 tttm -55.69 -27.01 47.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.642 -173.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.4 t -59.97 -24.45 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.228 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.531 ' ND2' HH11 ' B' ' 54' ' ' ARG . 11.7 p30 -87.46 -21.56 25.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.875 0.369 . . . . 0.0 110.663 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -96.81 -40.74 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.248 -173.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.673 ' HB2' ' HA ' ' A' ' 78' ' ' HIS . 17.4 pt-20 -83.22 34.47 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.319 0.581 . . . . 0.0 111.253 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 33.4 t-80 -62.02 103.53 0.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.184 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 24.5 t-80 76.74 -40.45 0.37 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.481 0.712 . . . . 0.0 110.927 -177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -93.59 76.44 4.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 110.074 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 74' ' ' GLU . 49.5 t60 -63.74 -40.04 95.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 109.415 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -179.37 -38.39 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.401 165.538 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.926 0.393 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.93 -28.57 24.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.3 111.15 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.895 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.43 79.22 1.68 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.302 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -150.62 143.43 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.166 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -124.3 -47.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 0.0 110.023 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.33 131.2 49.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -74.26 133.91 42.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -53.84 -45.75 71.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.643 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.3 m -59.79 -42.3 93.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.007 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -61.99 -48.94 78.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.808 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.712 HG21 HD13 ' A' ' 32' ' ' LEU . 45.7 t -64.47 -46.17 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.55 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.005 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 m -71.93 -35.57 69.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.661 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.621 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.5 tp -60.28 -53.33 58.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.148 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.42 -39.72 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.424 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.52 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.57 -46.9 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.473 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.495 ' O ' HG22 ' B' ' 22' ' ' VAL . 34.6 tt0 -65.23 -39.5 92.83 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.532 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.621 HG13 ' O ' ' B' ' 15' ' ' LEU . 20.5 mt -60.03 -41.58 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.74 -43.09 94.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.108 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 78.0 t -59.12 -41.32 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 22' ' ' VAL . 78.5 t -56.64 -51.77 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 111.211 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' B' ' 33' ' ' SER . 94.3 mt -57.7 -38.82 75.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.814 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.75 -28.33 63.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.141 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 91.8 mttt -54.16 -45.86 72.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.153 0.501 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.639 ' HD1' ' HB3' ' B' ' 28' ' ' ALA . 3.3 p80 -97.93 -4.34 36.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.809 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 51.51 43.32 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.704 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.639 ' HB3' ' HD1' ' B' ' 26' ' ' HIS . . . -60.6 136.18 92.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.515 177.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.75 161.34 15.34 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.416 2.077 . . . . 0.0 111.396 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -56.73 -35.73 68.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.53 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -61.31 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.967 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.74 -38.02 79.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.19 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 59.5 m -64.4 -45.58 87.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.006 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.32 -38.53 87.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.413 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttm -61.61 -42.6 99.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.86 70.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.457 ' O ' HG21 ' B' ' 41' ' ' VAL . 72.5 mt -61.96 -39.0 90.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.2 -52.64 50.25 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -67.3 -28.32 67.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.561 0.219 . . . . 0.0 110.488 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.4 -55.69 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.51 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.457 HG21 ' O ' ' B' ' 37' ' ' LEU . 61.6 t -57.33 -44.82 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -66.65 -35.93 81.35 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.791 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -68.94 -32.2 71.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.31 -44.16 84.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.006 0.431 . . . . 0.0 109.921 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.36 -44.09 95.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.564 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.472 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 6.3 mt-10 -74.93 0.39 15.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -107.48 -58.07 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.623 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.66 -44.28 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.184 0.516 . . . . 0.0 110.567 -173.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.75 133.99 51.23 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.686 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 50.3 Cg_exo -56.85 148.26 67.95 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.898 2.399 . . . . 0.0 112.364 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -45.14 -50.17 11.45 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -29.3 39.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 111.04 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.4 ' O ' HG22 ' B' ' 57' ' ' VAL . 14.5 m -71.04 -31.42 67.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.431 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.6 mtt180 -53.56 -42.12 67.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.214 0.531 . . . . 0.0 110.762 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.614 ' NE2' HG11 ' A' ' 69' ' ' VAL . 42.7 mm-40 -63.51 -44.32 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.516 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.26 90.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.808 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 53' ' ' SER . 67.2 t -63.01 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.49 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.923 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.77 -50.27 74.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 109.785 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -66.86 -37.68 84.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.98 -47.95 78.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.475 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.83 ' HB1' ' HB2' ' A' ' 62' ' ' ALA . . . -59.11 -40.46 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.381 0.61 . . . . 0.0 110.371 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . 27.4 ttmt -62.0 -51.75 66.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.598 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 69' ' ' VAL . 11.2 tp -59.37 -58.05 10.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.281 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.58 78.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.249 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -62.82 -40.17 96.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -67.15 -33.99 76.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.581 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.488 HG12 ' HG2' ' A' ' 54' ' ' ARG . 96.9 t -65.59 -50.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -21.99 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.177 -177.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 67.9 m -68.64 -30.59 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 176.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -83.26 -6.87 59.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.095 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -100.65 -1.2 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.42 82.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.744 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' B' ' 76' ' ' HIS . 4.1 p80 -147.29 85.09 1.58 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.596 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' B' ' 75' ' ' HIS . 5.1 t-160 173.32 -24.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -77.27 -175.8 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.359 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -78.84 53.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.933 0.396 . . . . 0.0 111.219 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 44.08 33.37 0.78 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.766 1.226 . . . . 0.0 113.653 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.534 175.087 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.28 148.73 15.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.27 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.69 11.45 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.206 0.527 . . . . 0.0 111.241 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.03 163.69 29.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.232 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -74.89 134.35 41.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.415 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -81.0 -24.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.955 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.414 ' HH ' ' HB2' ' B' ' 31' ' ' ASP . 50.9 m-85 -120.5 133.14 55.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.871 -175.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 p -76.27 167.86 21.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.252 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -62.73 -35.44 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.035 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 t -81.16 -23.95 37.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.294 -177.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.94 -61.57 2.48 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.66 -38.91 67.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.866 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 10' ' ' THR . 31.5 tt0 -52.45 -56.38 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.386 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.2 p -59.63 -36.57 76.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.641 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 19' ' ' ILE . 6.4 mp -69.65 -52.15 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.907 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 HG22 ' SG ' ' B' ' 40' ' ' CYS . 78.2 mt -56.96 -45.96 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.868 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -58.28 -45.54 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.293 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' OE2' HG11 ' B' ' 22' ' ' VAL . 35.7 tt0 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.782 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 15' ' ' LEU . 3.3 pt -70.75 -36.56 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 111.387 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.93 -43.45 95.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.411 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 17' ' ' ALA . 74.6 t -61.33 -38.41 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.44 -48.5 82.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.187 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD13 HD21 ' A' ' 37' ' ' LEU . 66.6 mt -59.23 -44.17 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.682 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.61 -32.38 60.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.849 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HE2' HG11 ' A' ' 21' ' ' VAL . 50.7 mtmt -67.74 -38.46 83.54 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 122.208 -0.308 . . . . 0.0 111.032 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -79.4 -14.76 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 tttp 52.33 62.89 2.47 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.806 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 123.62 89.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.405 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.89 168.52 3.31 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.885 2.39 . . . . 0.0 112.281 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -52.85 -51.51 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.853 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.73 -41.74 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.762 0.315 . . . . 0.0 111.008 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' B' ' 7' ' ' TYR . 54.5 tp -62.52 -44.88 95.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.077 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' HD22 ' A' ' 37' ' ' LEU . 13.6 p -66.14 -46.8 76.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.905 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.14 -46.24 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.598 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttp -63.26 -44.58 94.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.28 73.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.652 0.263 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.6 mm? -62.17 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.802 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.21 58.63 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.397 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -60.58 -38.91 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.503 0.192 . . . . 0.0 110.511 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.2 t -62.18 -50.57 71.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.004 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 37' ' ' LEU . 85.7 t -60.86 -44.02 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -68.56 -30.48 69.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.265 0.555 . . . . 0.0 110.066 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -71.16 -28.73 64.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.56 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.0 mt -64.76 -39.13 93.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.251 0.548 . . . . 0.0 110.102 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.434 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 73.3 mt -63.04 -32.59 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.261 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.17 -20.12 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.311 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -94.46 -47.62 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -116.13 -17.15 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.95 129.31 25.05 Favored Pre-proline 0 C--N 1.319 -0.732 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.817 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.441 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.4 Cg_exo -62.73 147.53 94.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.563 2.175 . . . . 0.0 111.064 171.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.505 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m -58.97 -33.02 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -172.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.53 -35.33 77.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.252 0.549 . . . . 0.0 110.855 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -93.4 -17.96 22.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.331 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 51' ' ' SER . 94.2 mtt180 -55.11 -41.36 71.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -49.06 47.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.65 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.488 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.36 -47.88 90.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.554 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.87 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.48 -48.13 73.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.106 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.29 -35.08 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -56.95 -49.62 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.841 ' HB2' ' HB3' ' B' ' 62' ' ' ALA . . . -59.05 -43.26 91.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.159 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 19.1 ttmt -68.08 -29.47 68.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.104 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.72 95.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.668 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 69' ' ' VAL . 14.5 mt -63.69 -40.71 97.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.0 91.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.869 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 60.0 mm-40 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.2 m -65.2 -42.87 93.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.323 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 65' ' ' LEU . 48.2 t -61.21 -45.72 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.132 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.5 t -61.59 -36.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.625 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.09 -27.51 63.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.999 0.428 . . . . 0.0 110.486 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.6 mt -84.46 -5.83 59.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.6 122.55 45.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.274 0.559 . . . . 0.0 111.447 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -115.19 22.28 13.45 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 35.7 m170 -75.26 173.25 11.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.15 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 76' ' ' HIS . 42.2 m-70 75.13 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.437 0.695 . . . . 0.0 111.435 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -85.11 -42.72 14.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.354 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -155.39 145.97 22.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.703 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.149 174.318 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.38 108.58 13.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.54 98.48 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.007 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -81.63 -31.32 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -76.63 99.15 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.57 93.16 0.89 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.743 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 20.0 m-85 69.81 -159.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.028 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -147.03 147.94 31.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.04 -39.46 82.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 0.0 110.203 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -59.41 -42.9 92.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -62.54 -52.86 61.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.15 -44.4 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.27 -50.39 74.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.9 p -67.31 -37.51 83.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.841 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.564 ' O ' HG13 ' B' ' 19' ' ' ILE . 49.2 tp -60.36 -51.86 67.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.469 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.2 -43.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.298 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.524 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -60.46 -38.79 85.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.252 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.62 -46.94 85.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.706 0.288 . . . . 0.0 110.928 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.564 HG13 ' O ' ' B' ' 15' ' ' LEU . 10.7 mt -61.12 -39.41 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.231 0.539 . . . . 0.0 109.884 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.28 -41.86 93.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.524 HG22 ' O ' ' B' ' 17' ' ' ALA . 53.0 t -57.54 -40.65 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.427 HG11 ' OE2' ' A' ' 18' ' ' GLU . 88.8 t -61.01 -44.57 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.555 HD12 HD22 ' B' ' 37' ' ' LEU . 73.9 mt -71.83 -36.72 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.51 -40.44 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.732 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.79 -31.9 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.555 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.445 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 57.5 m170 -84.06 -27.05 28.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.215 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.34 37.32 28.02 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.26 0.552 . . . . 0.0 110.065 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.53 135.22 90.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.443 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.76 174.67 10.75 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.616 2.211 . . . . 0.0 111.223 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -56.2 -39.82 73.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.195 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.414 ' HB2' ' HH ' ' A' ' 7' ' ' TYR . 1.5 m-20 -55.87 -55.28 34.42 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.338 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' ' 15' ' ' LEU . 32.9 tp -77.37 -33.22 55.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.568 -170.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.442 ' O ' HD23 ' B' ' 37' ' ' LEU . 12.0 p -66.14 -57.01 8.61 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.06 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.64 -37.78 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -61.02 -52.52 64.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.75 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.88 69.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.555 HD22 HD12 ' B' ' 23' ' ' LEU . 4.6 mm? -59.24 -45.34 91.43 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.93 -44.99 94.22 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.146 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -38.72 90.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.72 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.514 ' SG ' HG22 ' A' ' 16' ' ' ILE . 75.0 m -61.84 -48.02 82.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.472 0.177 . . . . 0.0 111.472 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.439 HG22 ' O ' ' B' ' 37' ' ' LEU . 62.1 t -58.93 -46.95 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.676 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.483 ' HA ' HD13 ' B' ' 45' ' ' LEU . 1.3 m -73.41 -24.07 60.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.537 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 24.3 t60 -73.09 -36.7 66.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.722 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.77 -22.84 62.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.712 0.292 . . . . 0.0 110.633 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' B' ' 42' ' ' THR . 89.8 mt -61.96 -38.66 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.998 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 25.4 mt-10 -65.49 -30.0 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 0.0 110.516 178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' B' ' 43' ' ' HIS . 3.8 mmt180 -87.64 -53.36 4.82 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.071 -168.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -100.63 -8.41 22.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 29.9 t -121.85 132.87 24.15 Favored Pre-proline 0 C--N 1.321 -0.659 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.613 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.516 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 25.2 Cg_exo -62.73 147.59 94.51 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.748 2.298 . . . . 0.0 111.02 173.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -51.57 -42.69 62.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.21 -25.14 68.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 111.591 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m -102.06 -12.58 18.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.641 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.6 mtt180 -58.51 -48.05 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.9 -36.11 79.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.314 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.22 75.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.842 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -38.98 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.4 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.873 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.82 -42.42 97.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.86 -40.71 83.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.914 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.89 -39.05 87.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -66.44 -42.38 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -61.12 -47.47 86.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.08 90.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.72 -60.42 3.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.527 0.68 . . . . 0.0 110.472 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.624 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 50.7 tt0 -79.92 -22.49 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.642 0.258 . . . . 0.0 110.564 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -64.76 -40.82 95.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.63 -41.19 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.297 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.624 ' HB2' ' HA ' ' B' ' 67' ' ' GLN . 58.1 mttp -60.17 -23.93 64.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.191 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -69.61 -20.08 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -22.64 38.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.226 0.536 . . . . 0.0 109.686 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.6 -10.97 35.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.84 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -78.23 88.06 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -140.52 28.91 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -72.29 175.47 6.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.23 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -136.58 100.99 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.359 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -90.4 134.42 34.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -99.31 -13.47 19.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 . . . . . 0 C--O 1.244 0.796 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.844 175.072 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.138 0.494 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.47 82.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.235 0.541 . . . . 0.0 110.603 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.7 18.53 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.51 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.85 146.5 48.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.041 -173.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -79.39 144.09 34.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HE3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.02 -7.86 9.4 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.963 -175.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' CD2' HD12 ' B' ' 32' ' ' LEU . 1.3 p90 40.01 97.32 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.681 1.238 . . . . 0.0 113.417 171.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t -76.98 -177.1 4.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.257 -173.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -52.43 -44.37 65.42 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.79 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.2 m -56.84 -45.92 82.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -63.89 -44.8 91.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.85 -42.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.39 -43.26 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -58.69 -46.29 87.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.261 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.23 -48.28 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.735 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.41 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -62.17 -40.09 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' HG21 ' A' ' 22' ' ' VAL . 43.0 mt-10 -68.7 -44.8 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.326 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -65.86 -31.4 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.61 0.243 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.54 -42.9 73.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 110.46 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 17' ' ' ALA . 70.0 t -59.71 -38.72 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.366 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 18' ' ' GLU . 78.1 t -58.71 -48.61 85.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.495 175.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -54.9 -49.29 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -34.27 77.39 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HE3' HG13 ' A' ' 21' ' ' VAL . 96.3 mttt -63.03 -36.25 82.93 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.242 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -88.52 -15.87 34.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.142 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 50.17 80.49 0.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.619 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.21 135.93 19.26 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.173 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.9 166.49 20.34 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.66 2.24 . . . . 0.0 111.551 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -55.78 -46.77 77.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.096 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.4 -43.89 75.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.972 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' B' ' 12' ' ' VAL . 36.4 tp -73.72 -43.03 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.975 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' HD21 ' A' ' 37' ' ' LEU . 18.4 p -62.48 -46.68 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.424 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.52 -36.55 84.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 tpp -62.02 -49.93 74.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.4 88.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 41' ' ' VAL . 4.1 mm? -61.19 -45.92 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.421 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.97 94.8 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.709 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -70.4 -28.65 65.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.684 0.278 . . . . 0.0 110.746 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.22 -45.83 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.694 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG22 ' HB3' ' B' ' 37' ' ' LEU . 54.5 t -63.01 -42.42 96.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.089 0.471 . . . . 0.0 110.143 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.3 m -64.09 -39.3 93.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.563 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.13 -34.93 70.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.26 -45.17 61.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.815 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 69.6 mt -58.94 -53.38 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.19 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 3.3 tp10 -69.43 -20.64 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.903 -172.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -107.48 -52.25 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -93.55 -7.88 42.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.858 0.361 . . . . 0.0 111.402 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t -111.46 133.32 21.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.65 0.262 . . . . 0.0 110.835 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 77.3 Cg_exo -50.62 145.44 22.76 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.127 2.551 . . . . 0.0 112.671 177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 m -52.66 -45.07 66.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.907 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -24.53 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -175.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 m -94.15 -15.77 24.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.789 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 91.6 mtt180 -55.8 -39.08 70.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.47 0.176 . . . . 0.0 111.243 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 55' ' ' GLN . 22.2 mt-30 -71.97 -51.66 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.77 98.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.96 -175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.82 -38.43 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.2 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.35 -46.16 89.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.684 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.36 -38.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.666 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.19 -43.44 95.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.052 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.41 89.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.496 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.96 -51.39 64.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.975 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.228 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.03 -51.54 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.098 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.675 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -61.02 -45.38 95.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -57.73 -42.87 84.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.332 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -62.14 -41.61 98.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' B' ' 54' ' ' ARG . 92.3 t -73.09 -40.62 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.375 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.675 ' HE2' ' HB1' ' A' ' 66' ' ' ALA . 61.3 mttm -70.34 -32.13 69.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.485 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.6 m -85.98 -6.76 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -71.91 -30.79 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mp -78.85 -38.3 38.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.948 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 71.04 -45.72 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.82 0.848 . . . . 0.0 112.336 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -72.98 82.64 1.23 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.287 0.565 . . . . 0.0 111.744 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -139.37 122.23 16.58 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 172.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.51 84.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 65.76 173.18 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.363 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -76.26 72.73 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.798 0.809 . . . . 0.0 111.872 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.238 174.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.654 0.264 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.16 83.15 0.15 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.184 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 tp -168.7 125.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.299 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.438 ' HG3' ' H ' ' B' ' 5' ' ' SER . 8.1 pt20 -128.27 -53.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.558 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.438 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 38.0 t 66.45 145.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.691 0.758 . . . . 0.0 111.867 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.84 1.31 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.002 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.58 147.36 48.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 35.8 t -67.62 126.69 30.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.83 174.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.74 -32.56 71.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.21 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -74.8 -36.02 62.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.663 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 58.2 tp60 -59.03 -51.85 68.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 32' ' ' LEU . 46.4 t -61.03 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.34 -42.63 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.434 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.4 m -63.9 -36.05 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.02 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.547 ' O ' HG13 ' B' ' 19' ' ' ILE . 6.4 mp -62.06 -41.32 98.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.675 0.274 . . . . 0.0 110.727 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 12' ' ' VAL . 67.4 mt -59.14 -45.96 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.075 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.575 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -60.4 -35.02 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.154 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 14' ' ' SER . 9.1 mm-40 -59.75 -48.38 81.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.325 0.583 . . . . 0.0 110.61 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 15' ' ' LEU . 2.1 mt -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.018 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.41 -41.08 96.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.575 HG21 ' O ' ' B' ' 17' ' ' ALA . 71.5 t -55.87 -46.14 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.23 -42.25 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.557 HD12 HD21 ' B' ' 37' ' ' LEU . 97.5 mt -62.37 -41.36 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.26 -23.69 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.584 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.504 ' HE2' HG12 ' B' ' 21' ' ' VAL . 68.7 mttm -61.68 -40.75 96.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.664 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -99.25 3.44 46.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.183 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 tptt 57.86 37.09 26.88 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.587 0.555 . . . . 0.0 110.591 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.05 116.55 14.97 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.288 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.56 176.81 4.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.243 2.629 . . . . 0.0 111.806 177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 m -48.16 -56.03 8.89 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -60.1 -47.6 85.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.534 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 7' ' ' TYR . 23.4 tp -66.54 -34.01 76.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.703 -177.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.451 ' O ' HD22 ' B' ' 37' ' ' LEU . 50.0 m -63.37 -53.65 49.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.964 0.412 . . . . 0.0 109.966 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.33 -36.85 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.119 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.9 ttm -62.5 -55.9 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.17 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.36 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.581 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.4 mm? -63.17 -45.22 92.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.37 94.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.295 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -63.05 -38.99 93.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.676 0.274 . . . . 0.0 110.27 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.404 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 45.7 t -60.13 -53.92 52.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 37' ' ' LEU . 97.7 t -54.85 -47.61 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -62.42 -40.07 95.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.39 -29.67 62.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 74.0 mt -63.54 -48.73 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.552 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.3 mt -58.42 -31.83 68.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.478 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.66 -45.3 37.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.719 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -26.44 26.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -112.02 -40.82 4.12 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.559 -0.457 . . . . 0.0 112.133 -173.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.413 HG21 HD21 ' B' ' 45' ' ' LEU . 41.7 t -93.5 135.85 24.85 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.352 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.6 149.22 83.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.79 2.327 . . . . 0.0 111.785 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -54.06 -36.52 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.18 -43.67 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -88.99 -14.52 36.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.442 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.1 ttm180 -55.91 -47.26 77.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.385 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 27.3 tt0 -73.34 -42.16 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.742 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.21 77.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.6 t -70.33 -34.58 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.12 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.124 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 38.2 mm-40 -59.51 -46.06 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.197 0.522 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.95 -43.02 97.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.52 -44.3 97.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.464 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.32 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.718 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -69.45 -38.98 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.95 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.192 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.61 -45.78 92.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.98 90.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.53 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -67.24 -39.33 86.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.263 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -64.06 -29.86 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.63 -49.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.604 . . . . 0.0 110.668 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' B' ' 70' ' ' LYS . 35.8 ttpt -60.78 -36.43 78.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.972 -174.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -64.3 -25.83 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 111.059 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -85.71 -25.93 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.356 0.598 . . . . 0.0 109.946 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -87.32 -29.03 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.197 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.82 139.25 58.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.376 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -62.52 115.7 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -121.51 164.06 17.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -64.04 123.19 18.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.252 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -104.62 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.552 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -136.03 154.92 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.678 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 26.3 p80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.449 173.254 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.75 0.309 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.5 87.83 2.94 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.079 0.466 . . . . 0.0 111.819 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -75.59 -83.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 169.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.93 -162.57 0.06 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.951 0.782 . . . . 0.0 112.626 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -105.3 90.38 3.41 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.842 169.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -76.78 -46.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.671 ' HH ' ' HB2' ' B' ' 31' ' ' ASP . 8.2 m-85 -91.38 101.44 14.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.853 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 p -73.15 147.86 44.41 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -55.97 -35.95 67.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 110.093 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -62.54 -45.52 92.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.173 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.42 -47.05 83.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.329 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG22 HD13 ' B' ' 32' ' ' LEU . 62.1 t -66.45 -50.16 69.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.805 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.39 -41.67 94.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.618 0.247 . . . . 0.0 111.016 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 23.3 t -63.8 -39.56 94.55 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' HG12 ' A' ' 19' ' ' ILE . 33.0 tp -65.23 -43.07 92.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.549 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.7 mt -58.38 -43.8 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.145 0.498 . . . . 0.0 109.819 175.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.803 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 14' ' ' SER . 21.2 mm-40 -54.94 -48.4 73.21 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.316 0.385 . . . . 0.0 110.473 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 15' ' ' LEU . 4.9 mm -62.4 -42.6 96.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.019 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.45 -35.85 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.985 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 17' ' ' ALA . 74.8 t -61.84 -40.59 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.614 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.82 -50.48 79.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.072 0.463 . . . . 0.0 110.228 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.639 HD11 HD23 ' A' ' 37' ' ' LEU . 76.8 mt -56.46 -49.3 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.356 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.75 -36.51 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.285 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HE2' HG12 ' A' ' 21' ' ' VAL . 64.7 mttm -60.11 -33.95 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.712 0.291 . . . . 0.0 111.428 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.44 -11.14 52.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt 58.53 29.25 18.14 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.637 0.586 . . . . 0.0 110.07 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -66.59 133.0 94.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.916 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 24.9 Cg_exo -63.57 160.53 35.64 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.675 2.25 . . . . 0.0 110.879 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.666 HG22 HG21 ' B' ' 49' ' ' VAL . 2.1 m -57.72 -35.4 70.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.637 0.256 . . . . 0.0 111.353 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.2 -53.5 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -72.71 -31.22 64.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -62.25 -52.02 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.409 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.94 -36.99 83.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.451 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.2 ttm -60.74 -48.63 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -47.02 74.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.639 HD23 HD11 ' A' ' 23' ' ' LEU . 4.1 mm? -60.56 -46.33 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.35 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.61 89.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.399 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.018 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.91 -47.87 84.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 111.355 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' B' ' 37' ' ' LEU . 60.5 t -57.9 -48.24 84.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -73.96 -29.31 61.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.988 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -69.17 -40.74 77.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.264 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD12 HD11 ' B' ' 23' ' ' LEU . 95.9 mt -68.72 -41.03 79.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 176.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -60.98 -42.68 98.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.663 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.2 -45.19 81.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.237 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -87.24 -5.71 58.84 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.915 -170.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 18.8 tptm -118.37 -34.74 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.874 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.77 127.07 28.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.727 0.299 . . . . 0.0 110.943 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.87 151.8 74.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -49.29 -38.83 28.66 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.62 0.575 . . . . 0.0 112.335 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -56.72 -54.96 40.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.928 0.395 . . . . 0.0 111.585 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 m -89.29 -3.88 58.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.953 0.406 . . . . 0.0 111.068 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HG3' HD23 ' A' ' 45' ' ' LEU . 39.2 ttm180 -64.8 -42.25 95.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -68.6 -32.95 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.749 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.72 71.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.489 ' HB ' HD21 ' A' ' 45' ' ' LEU . 67.9 t -62.95 -39.37 84.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.471 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.53 90.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.623 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.7 mm-40 -58.43 -48.24 81.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.063 176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.02 -43.57 98.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.57 -46.1 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.382 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.98 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.247 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 62.8 mttp -61.88 -48.03 82.31 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.713 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.97 81.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.424 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.91 -54.62 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -63.26 -43.38 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.094 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -55.57 -40.15 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -64.51 -52.22 58.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.483 HG13 ' HG2' ' B' ' 55' ' ' GLN . 46.9 t -61.59 -33.44 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.899 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 28.0 mtpp -78.26 -36.63 46.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.29 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.6 p -90.77 -21.99 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -172.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.59 -22.31 51.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.853 -177.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' B' ' 51' ' ' SER . 10.2 mp -82.74 -32.8 27.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 64.44 -89.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.187 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' HB3' ' H ' ' A' ' 76' ' ' HIS . 21.9 m80 53.31 -150.2 0.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -171.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 75' ' ' HIS . 30.4 m170 -105.24 135.07 47.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.925 0.393 . . . . 0.0 110.271 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -82.4 -8.37 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.805 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -87.22 132.72 33.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.592 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.686 0.279 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.73 -28.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.449 . . . . 0.0 111.168 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 tt -136.99 146.59 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.185 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.13 151.0 40.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m -62.45 130.84 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.067 0.461 . . . . 0.0 110.418 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.2 -19.71 56.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 110.888 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.95 132.61 49.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.111 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -88.39 164.16 15.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -58.6 -27.29 64.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.2 m -56.45 -45.4 80.85 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.47 -36.26 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.528 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.81 -47.95 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.404 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.34 -49.51 75.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.385 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -59.59 -46.74 88.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.579 ' O ' HG13 ' B' ' 19' ' ' ILE . 0.5 OUTLIER -56.62 -51.9 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.16 -178.277 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.39 -48.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.559 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.55 -44.75 93.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.482 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.14 -39.86 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.29 . . . . 0.0 111.04 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.579 HG13 ' O ' ' B' ' 15' ' ' LEU . 50.7 mt -65.04 -42.98 96.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.06 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 17' ' ' ALA . 61.6 t -60.49 -45.63 96.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 18' ' ' GLU . 75.9 t -61.13 -49.3 85.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.448 0.166 . . . . 0.0 111.446 -178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.674 HD13 HD21 ' B' ' 37' ' ' LEU . 71.8 mt -50.39 -53.31 30.16 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.71 -32.01 67.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 -175.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.15 -37.98 87.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.63 -9.64 59.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 59.72 67.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.791 0.805 . . . . 0.0 109.581 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.91 118.96 65.53 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.085 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.71 161.89 11.65 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.449 2.1 . . . . 0.0 111.091 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -57.62 -36.95 72.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.621 0.248 . . . . 0.0 110.583 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.671 ' HB2' ' HH ' ' A' ' 7' ' ' TYR . 12.7 m-20 -57.63 -50.49 72.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.287 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.509 HD13 HG22 ' A' ' 12' ' ' VAL . 25.1 tp -72.66 -31.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.648 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.411 ' O ' HD22 ' B' ' 37' ' ' LEU . 49.8 m -62.76 -53.81 48.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.311 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -35.05 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttm -63.51 -49.76 72.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.772 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.96 38.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.674 HD21 HD13 ' B' ' 23' ' ' LEU . 4.6 mm? -54.61 -46.3 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.481 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.67 -49.96 72.04 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.671 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -65.33 -36.97 85.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.605 0.241 . . . . 0.0 110.704 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.587 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 42.1 t -60.8 -51.07 70.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.716 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 37' ' ' LEU . 94.8 t -59.74 -44.31 93.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -39.28 88.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 110.513 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.54 -34.75 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.786 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.2 mt -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.316 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.802 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 58.8 mt -66.89 -44.0 81.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.742 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.74 -41.76 95.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.511 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.16 -33.76 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -113.76 -0.45 14.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.965 -170.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.666 HG21 HG22 ' A' ' 30' ' ' THR . 41.5 t -123.78 134.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.27 . . . . 0.0 111.135 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.74 141.65 91.25 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.601 2.201 . . . . 0.0 111.238 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.452 ' HB3' HD23 ' A' ' 73' ' ' LEU . 14.4 m -52.04 -37.93 55.29 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.87 -51.64 57.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -71.01 -26.38 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.321 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.802 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 41.0 ttm180 -51.15 -49.84 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.589 0.756 . . . . 0.0 111.614 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.483 ' HG2' HG13 ' A' ' 69' ' ' VAL . 91.6 mt-30 -77.64 -27.62 51.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.28 62.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -71.49 -26.69 26.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.465 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.854 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.532 ' O ' ' HD3' ' B' ' 63' ' ' LYS . 51.6 mm-40 -62.12 -55.19 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.055 174.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.41 -45.64 93.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.636 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.54 -45.01 94.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.014 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.69 99.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.018 0.437 . . . . 0.0 110.749 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' B' ' 59' ' ' GLU . 0.6 OUTLIER -61.99 -47.46 84.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 176.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.86 90.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.528 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.53 -42.78 99.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -58.35 -41.42 84.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.983 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.6 t -61.86 -50.16 73.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.713 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.7 -38.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -66.62 -22.9 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.885 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -69.97 -26.85 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.854 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.88 -24.4 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.116 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.21 7.85 42.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.731 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' B' ' 74' ' ' GLU . 9.4 pt-20 -52.29 112.11 0.75 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.825 0.821 . . . . 0.0 111.757 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -165.2 135.43 3.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.601 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -71.44 80.66 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -85.58 84.51 7.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 9.2 t-160 -112.93 146.1 39.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.051 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 54.0 t60 77.83 106.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.115 0.884 . . . . 0.0 110.427 -176.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.504 175.675 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mtp . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 121.009 0.433 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.82 27.91 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.013 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 tp -91.79 103.4 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.68 0.752 . . . . 0.0 111.145 -175.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -137.47 134.6 35.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.782 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -87.83 106.84 18.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.116 -176.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -137.41 21.82 2.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.344 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -6.59 102.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 O-C-N 125.38 1.675 . . . . 0.0 113.681 172.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.72 156.85 15.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.201 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -31.46 68.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -58.73 -38.51 78.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -70.3 -46.94 63.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.241 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 16' ' ' ILE . 38.8 t -58.97 -47.7 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.212 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.52 -42.26 96.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.675 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 12.5 p -70.07 -35.12 73.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.857 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 19' ' ' ILE . 4.7 mp -61.45 -43.91 98.04 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 12' ' ' VAL . 80.9 mt -57.32 -43.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.133 176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' O ' HG21 ' A' ' 21' ' ' VAL . . . -60.79 -39.29 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.051 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' SER . 17.9 mm-40 -56.72 -48.18 78.33 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.268 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.764 HG22 HG23 ' B' ' 19' ' ' ILE . 9.1 mt -68.53 -34.4 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.445 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -63.3 -38.54 91.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.425 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 17' ' ' ALA . 93.9 t -60.14 -39.87 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' B' ' 22' ' ' VAL . 47.1 t -61.46 -53.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.731 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 37' ' ' LEU . 98.4 mt -53.24 -48.64 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.807 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.78 -28.14 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.5 -37.75 70.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.032 0.444 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -102.81 -0.99 30.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.1 tttp 52.27 56.79 7.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.788 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 124.53 90.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.696 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.91 173.06 5.17 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.618 2.212 . . . . 0.0 111.782 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -58.25 -41.08 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.635 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.66 -51.14 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -73.17 -36.77 66.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.445 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -66.35 -47.39 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.817 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.61 -41.25 89.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.994 0.426 . . . . 0.0 110.336 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 ttm -63.59 -50.7 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.995 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.47 76.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' LEU . 4.0 mm? -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.68 55.52 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.735 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 89.3 m-20 -62.23 -33.03 73.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.29 . . . . 0.0 111.331 -177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.738 ' HA ' ' HD1' ' A' ' 43' ' ' HIS . 73.4 m -68.63 -50.03 54.51 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.485 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.595 HG21 ' HB3' ' B' ' 37' ' ' LEU . 79.0 t -57.75 -45.2 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.568 0.543 . . . . 0.0 110.597 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 11.4 m -63.55 -44.55 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.299 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.738 ' HD1' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -70.0 -31.27 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.691 -173.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 3.5 pp -85.93 -19.43 30.5 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.469 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 9.9 tt -69.34 -36.79 77.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 42' ' ' THR . 37.9 mt-10 -75.36 -36.29 60.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.025 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -84.8 -44.98 12.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -170.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -90.34 -20.63 22.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.449 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.625 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 55.8 t -110.38 131.03 22.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.502 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 18.9 Cg_endo -60.59 154.89 51.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.959 2.439 . . . . 0.0 112.09 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 m -54.54 -42.82 71.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.928 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.75 -32.67 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.004 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -97.08 -7.77 31.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 94.1 mtt180 -59.36 -49.43 77.84 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.553 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.29 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -71.75 -24.15 22.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.9 82.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.929 0.395 . . . . 0.0 110.331 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.91 -42.99 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.425 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.78 -49.66 76.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.609 0.242 . . . . 0.0 110.489 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.59 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.457 . . . . 0.0 110.144 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.0 -52.49 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.369 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.12 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.911 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' ' 69' ' ' VAL . 15.2 tp -61.93 -57.65 10.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.254 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 70' ' ' LYS . . . -58.34 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -65.53 -44.69 86.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -71.75 -18.96 62.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.096 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 65' ' ' LEU . 53.7 t -75.76 -44.09 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.595 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 26.8 pttt -84.13 -28.28 27.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.599 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.9 m -81.0 0.96 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.654 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -68.72 -43.21 76.42 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 173.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.616 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.6 pt? -98.19 -31.09 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.701 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -71.23 138.39 49.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 178.122 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 25.6 m80 71.0 7.87 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.155 0.582 . . . . 0.0 111.685 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 78' ' ' HIS . 28.5 m170 -125.89 153.14 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 76' ' ' HIS . 65.3 t60 73.73 -38.46 0.4 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.928 0.491 . . . . 0.0 110.804 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.456 ' H ' ' C ' ' A' ' 76' ' ' HIS . 41.2 t-80 -79.27 76.62 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -145.79 153.32 40.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.938 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.497 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.561 0.22 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.92 -59.89 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.4 pt -85.04 122.37 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.904 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -78.57 -50.33 11.73 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -128.97 -161.54 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -73.19 85.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 65.11 -88.54 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.116 -174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 31.1 t 173.15 120.47 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -55.81 -45.56 78.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.383 0.427 . . . . 0.0 110.03 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.82 -37.64 88.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -62.49 -48.81 77.96 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.515 0.197 . . . . 0.0 110.774 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.4 -44.11 77.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.77 -52.03 67.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.464 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -67.31 -26.58 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.929 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.602 ' O ' HG13 ' B' ' 19' ' ' ILE . 59.4 tp -68.47 -51.19 46.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.501 HG21 ' SG ' ' A' ' 40' ' ' CYS . 86.7 mt -54.06 -44.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.695 177.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.529 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.8 -41.73 98.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.458 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.65 -39.57 91.54 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.223 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.764 HG23 HG22 ' A' ' 19' ' ' ILE . 53.0 mt -62.88 -39.81 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.114 177.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.668 HD21 ' CE1' ' A' ' 43' ' ' HIS . 94.4 mt -63.28 -39.97 96.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.99 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.4 t -55.36 -47.56 77.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 22' ' ' VAL . 69.0 t -58.38 -52.57 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.297 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.489 HD13 HD23 ' B' ' 37' ' ' LEU . 96.1 mt -50.1 -48.47 53.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.105 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.67 -22.58 50.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.631 0.253 . . . . 0.0 111.182 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 52.3 mtpt -64.54 -27.71 69.15 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.872 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -99.2 -4.19 32.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.956 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 54.94 65.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.418 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -88.26 128.89 51.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.128 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 15.8 Cg_exo -67.59 173.27 9.16 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.714 2.276 . . . . 0.0 111.568 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.8 m -60.65 -38.22 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.646 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -54.86 22.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.926 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 28.8 tp -59.08 -37.04 76.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.489 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' HD21 ' B' ' 37' ' ' LEU . 6.0 p -67.87 -44.5 76.91 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.875 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.76 -40.06 86.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.664 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.1 mtp -68.07 -53.11 28.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.46 85.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 41' ' ' VAL . 4.5 mm? -66.88 -43.37 83.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.414 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.06 50.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.598 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -64.13 -27.02 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.584 0.23 . . . . 0.0 110.916 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.485 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 48.8 t -64.61 -44.48 90.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.1 t -60.92 -44.64 98.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.436 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -42.0 97.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 177.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.49 -30.82 71.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 93.8 mt -67.94 -41.53 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.48 -52.03 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.913 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.741 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 7.4 pt-20 -64.05 -29.58 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.662 ' HE ' ' HA ' ' B' ' 47' ' ' ARG . 1.6 mmp_? -100.15 -6.07 26.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -117.25 -39.04 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' B' ' 53' ' ' SER . 21.3 t -110.55 140.28 22.4 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.547 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 74.3 Cg_exo -51.64 152.94 11.81 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.056 2.504 . . . . 0.0 112.526 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.493 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 50.4 m -50.19 -56.54 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.01 -28.99 61.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.279 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.474 ' HB2' HG11 ' B' ' 49' ' ' VAL . 7.1 m -71.71 -24.87 61.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.741 ' NE ' ' HA ' ' B' ' 46' ' ' GLU . 78.3 mtt180 -55.24 -37.71 67.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -61.3 -42.15 98.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.964 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.69 83.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.48 -38.74 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.69 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.28 -44.68 94.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.013 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 2.1 mp0 -66.22 -37.97 86.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.865 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -63.45 -45.99 88.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.84 79.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.796 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' B' ' 60' ' ' GLN . 22.7 mtpp -61.11 -50.15 74.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.961 175.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.13 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.082 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.403 ' O ' HG22 ' B' ' 69' ' ' VAL . 11.7 tp -64.65 -47.06 79.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.991 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.42 88.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.678 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.72 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -36.32 74.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.085 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 65' ' ' LEU . 73.1 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.019 0.438 . . . . 0.0 110.38 174.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.94 -10.14 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.284 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.3 t -76.01 -18.51 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -85.49 -27.86 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.82 7.82 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.609 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.0 147.65 12.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.772 176.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -54.84 106.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 110.768 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -73.61 -3.85 30.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.63 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -84.69 2.11 43.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 0.0 110.009 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -74.9 88.92 2.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t60 68.32 132.84 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 124.038 0.836 . . . . 0.0 110.932 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.269 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.63 93.91 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -92.3 4.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.41 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -85.38 174.43 9.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -110.31 -156.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -59.38 -42.53 91.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -136.19 160.21 39.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 35.4 t -84.64 137.91 32.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.989 177.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.24 -50.46 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.675 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -67.19 -22.16 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.607 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 42.7 tt0 -66.02 -56.93 9.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG22 HD12 ' B' ' 32' ' ' LEU . 47.1 t -59.58 -38.82 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.788 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -53.86 -49.32 68.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.919 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 m -61.72 -38.68 88.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.02 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' HG13 ' A' ' 19' ' ' ILE . 10.9 mp -62.39 -56.89 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.247 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 HG12 ' HA ' ' B' ' 36' ' ' ALA . 67.3 mt -56.28 -42.96 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -58.38 -46.97 85.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.667 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -72.64 -31.18 64.92 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.13 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.728 HG21 HG22 ' B' ' 19' ' ' ILE . 59.3 mt -63.27 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.632 0.729 . . . . 0.0 109.242 174.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 84.2 mt -62.33 -39.86 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.041 172.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 17' ' ' ALA . 89.7 t -63.73 -27.18 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' B' ' 22' ' ' VAL . 87.0 t -61.72 -53.95 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 109.703 172.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -56.39 -46.12 80.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.114 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.9 mm-40 -61.69 -40.71 95.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.555 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -55.37 -45.04 76.55 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -88.76 -11.25 45.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.819 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 4.9 ttmp? 54.64 70.29 0.63 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.493 0.663 . . . . 0.0 109.875 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -91.09 132.28 34.69 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 27.5 Cg_exo -63.07 170.24 7.91 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.604 2.203 . . . . 0.0 111.76 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -46.85 73.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.535 -176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.9 -51.54 67.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.71 -38.4 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.724 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' HD22 ' A' ' 37' ' ' LEU . 54.4 m -64.7 -53.65 43.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.95 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.32 -39.75 88.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.757 0.313 . . . . 0.0 111.062 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 ttm -63.14 -45.82 90.12 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.23 71.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 23' ' ' LEU . 4.3 mm? -58.9 -45.2 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.518 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.43 87.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.708 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.571 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 34.0 m-80 -65.75 -33.01 74.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 111.104 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' B' ' 16' ' ' ILE . 79.8 m -66.05 -31.3 72.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.837 -0.165 . . . . 0.0 110.752 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' HB ' HD11 ' B' ' 65' ' ' LEU . 48.5 t -71.78 -51.68 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.694 0.283 . . . . 0.0 110.585 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 p -66.93 -40.82 87.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.632 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -60.88 -20.39 61.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.044 -178.04 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 65.1 mt -85.72 -41.48 15.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 109.97 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 60.9 mt -60.48 -53.93 51.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 2.9 mp0 -63.25 -21.11 66.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.197 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 7.4 tpt180 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -173.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -106.09 -38.04 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.22 129.89 24.33 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 120.588 0.233 . . . . 0.0 111.578 -168.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.23 143.22 85.93 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.806 2.337 . . . . 0.0 111.376 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.7 m -52.21 -33.96 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -172.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -72.0 -46.51 56.96 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.448 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -74.21 -25.69 59.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.029 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 35.7 ttm180 -57.73 -34.39 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.67 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 51' ' ' SER . 65.3 mt-30 -63.78 -43.93 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.356 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.22 82.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.811 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.88 -41.29 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.354 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.78 99.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -58.15 -48.43 80.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.588 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.3 -34.15 67.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.344 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.48 -51.41 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.424 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -31.72 72.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.303 0.573 . . . . 0.0 110.402 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HB2' ' HZ1' ' A' ' 63' ' ' LYS . 2.2 ttmp? -66.99 -44.55 80.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.31 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.76 81.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.61 -55.96 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.053 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.49 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.23 -41.3 88.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.505 ' HB2' HG23 ' B' ' 42' ' ' THR . 18.4 m -66.58 -33.87 76.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.12 0.486 . . . . 0.0 110.463 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.07 -40.64 78.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -56.75 -43.01 80.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.2 t -58.33 -23.19 55.91 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.263 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -87.78 -39.75 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.001 0.429 . . . . 0.0 111.533 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.631 ' HG ' HE21 ' B' ' 55' ' ' GLN . 1.2 tm? -83.14 -37.79 23.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.23 57.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.317 0.58 . . . . 0.0 110.598 -177.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -91.21 16.85 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.869 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -90.33 111.43 22.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -99.11 11.51 38.82 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -166.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -149.7 162.5 40.11 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.714 0.292 . . . . 0.0 110.442 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -97.62 -53.56 3.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 . . . . . 0 C--O 1.243 0.735 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.201 175.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.848 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.27 91.18 2.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.844 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 140.31 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.701 -175.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -134.57 -24.09 1.58 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.57 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m 64.87 47.73 2.58 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.141 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -83.58 148.18 27.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.026 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -84.61 142.42 29.96 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.87 -47.5 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.423 . . . . 0.0 110.329 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.3 m -60.15 -41.37 92.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.452 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.75 -51.86 64.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.325 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.42 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.49 -20.11 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.543 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -78.05 -36.03 48.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.562 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.8 tp -60.33 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.5 mt -56.21 -41.77 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.79 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.59 -45.17 81.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.609 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.56 -39.68 94.19 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.728 HG22 HG21 ' A' ' 19' ' ' ILE . 29.4 mt -60.04 -40.75 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.251 0.548 . . . . 0.0 109.776 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 46.7 mt -67.62 -40.11 84.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.773 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 17' ' ' ALA . 94.9 t -57.91 -42.02 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.527 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 22' ' ' VAL . 70.0 t -62.19 -49.98 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.655 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.35 -48.11 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.034 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.37 -44.96 92.66 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.887 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -65.25 -27.65 68.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 111.602 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -90.72 -4.34 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.547 ' HZ2' ' HB3' ' B' ' 27' ' ' LYS . 9.5 mtpm? 54.1 39.56 30.77 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.64 0.587 . . . . 0.0 110.527 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.62 121.73 85.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.063 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.52 171.94 14.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.688 2.258 . . . . 0.0 111.721 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -56.53 -43.71 80.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.06 -49.18 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.555 0.217 . . . . 0.0 110.791 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -62.53 -41.52 98.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.462 ' O ' HD21 ' B' ' 37' ' ' LEU . 35.1 p -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.044 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.74 -40.51 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 84.0 mtp -63.94 -41.97 97.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.733 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.516 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -68.42 -50.7 50.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.285 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.462 HD21 ' O ' ' B' ' 33' ' ' SER . 4.0 mm? -58.08 -43.27 86.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.265 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.79 71.24 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.842 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.407 ' HB2' HD13 ' A' ' 16' ' ' ILE . 40.9 m-80 -71.07 -29.3 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.738 -0.271 . . . . 0.0 110.923 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.486 ' SG ' HD11 ' A' ' 37' ' ' LEU . 42.4 t -63.83 -49.97 70.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.414 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.461 HG21 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -61.22 -47.24 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.619 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 68' ' ' SER . 9.2 m -62.97 -36.43 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.356 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -69.59 -26.19 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.961 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 96.3 mt -65.8 -37.56 86.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.36 -37.5 87.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.568 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.52 -33.89 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -95.11 -42.11 8.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -106.75 -6.31 17.89 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -171.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.79 132.61 24.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 0.0 111.408 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.616 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.81 153.79 41.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.993 2.462 . . . . 0.0 111.919 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 17.5 m -53.54 -47.92 69.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -32.92 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.387 . . . . 0.0 111.011 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.415 ' HB3' ' HG2' ' B' ' 50' ' ' PRO . 28.2 t -74.22 -17.81 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 -177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.4 mtt180 -60.33 -38.86 85.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.631 HE21 ' HG ' ' A' ' 73' ' ' LEU . 71.2 mt-30 -67.11 -41.76 85.69 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.474 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.017 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 53' ' ' SER . 49.9 t -68.11 -37.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.73 84.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.731 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.08 -45.8 91.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.21 -48.21 81.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.67 -44.5 96.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.329 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.23 89.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.22 -38.28 60.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.971 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.385 0.612 . . . . 0.0 109.978 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.467 HD11 ' HB ' ' A' ' 41' ' ' VAL . 14.4 tp -65.45 -51.27 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.971 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.9 82.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -62.03 -38.17 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -67.86 -30.5 69.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.28 -42.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 109.957 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.447 ' HZ1' ' HB3' ' B' ' 70' ' ' LYS . 9.9 mtpm? -67.17 -12.27 59.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.506 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.1 m -67.57 -19.71 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -83.18 -5.07 58.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.9 1.14 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -80.57 172.84 13.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.724 0.773 . . . . 0.0 111.983 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' B' ' 75' ' ' HIS . 3.6 p80 -100.77 -172.17 2.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.372 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -59.79 91.93 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.601 0.715 . . . . 0.0 110.6 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -115.77 92.47 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -128.55 -65.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.342 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -88.3 54.37 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.04 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.276 -172.716 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.817 0.342 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.89 -46.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 3' ' ' ILE . 2.4 pp -73.63 -178.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.0 111.929 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -107.48 155.59 19.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 10.9 t -155.14 -91.39 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 6.8 ptpp? -81.04 90.38 5.99 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 166.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 69.52 -162.53 0.17 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.816 -1.083 . . . . 0.0 109.344 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 29.5 t -102.94 128.44 49.74 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.19 -32.03 73.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -67.21 -38.13 84.77 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.49 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 6.0 tp-100 -60.61 -53.47 57.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.212 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 16' ' ' ILE . 60.7 t -57.05 -48.96 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.969 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.38 -45.48 84.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.025 0.44 . . . . 0.0 110.841 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.2 m -65.42 -39.63 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 19' ' ' ILE . 38.8 tp -62.12 -47.11 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.003 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 12' ' ' VAL . 38.4 mm -55.36 -49.85 69.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 110.478 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.569 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.28 -40.67 90.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.648 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG23 HG21 ' B' ' 19' ' ' ILE . 69.8 mt -62.76 -42.25 95.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.28 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.3 mt -65.69 -33.94 77.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.617 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 17' ' ' ALA . 66.0 t -62.05 -33.46 58.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.471 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.619 HG21 HG21 ' B' ' 22' ' ' VAL . 63.9 t -64.29 -51.56 66.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.921 176.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 33' ' ' SER . 96.1 mt -55.41 -43.98 75.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.22 -33.23 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.51 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.149 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -92.02 -6.74 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.48 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.32 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.191 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.62 127.23 27.18 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.862 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.8 162.22 19.29 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.443 2.095 . . . . 0.0 111.467 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.5 m -51.91 -39.44 59.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.467 . . . . 0.0 110.614 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.78 -52.93 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.532 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.847 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.415 ' HB3' HD11 ' A' ' 23' ' ' LEU . 58.0 m -64.2 -45.5 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.664 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.2 mt -58.43 -39.77 80.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.293 176.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.84 -57.75 10.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 111.18 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.608 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -74.78 -28.3 60.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.06 -176.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' HD21 ' A' ' 37' ' ' LEU . . . -66.09 -49.47 57.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.471 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -66.87 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.434 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 -50.38 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.173 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' B' ' 37' ' ' LEU . 61.2 t -52.11 -53.71 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.308 177.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -39.09 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.076 0.465 . . . . 0.0 111.005 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -67.79 -24.23 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.46 -40.51 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.36 . . . . 0.0 110.145 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.04 -38.61 91.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.251 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.84 -21.57 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.003 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 9.0 ptp180 -105.76 -50.22 3.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 50.8 mttp -90.69 -10.65 42.32 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -172.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 t -123.79 133.22 24.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.424 . . . . 0.0 111.465 -174.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 37.5 Cg_exo -61.69 148.26 93.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.695 2.263 . . . . 0.0 111.12 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -54.5 -42.1 70.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 0.0 111.364 -175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.6 mp0 -58.92 -33.56 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.544 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 m -93.19 -23.3 18.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.672 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.7 mtt180 -54.55 -47.78 72.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' HG3' ' HG2' ' B' ' 70' ' ' LYS . 46.5 tt0 -62.14 -40.95 97.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.973 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.91 88.06 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.95 -40.1 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.703 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' B' ' 69' ' ' VAL . . . -58.25 -50.25 74.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.396 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -58.4 -43.2 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.97 -39.98 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.414 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.2 -42.82 99.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.711 0.291 . . . . 0.0 110.253 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' B' ' 62' ' ' ALA . . . -58.88 -43.54 90.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.32 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 32.2 ttmt -60.68 -51.96 67.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.567 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.95 99.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.565 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.77 -49.18 78.63 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.366 0.603 . . . . 0.0 110.144 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.82 91.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 13.9 mm100 -66.47 -34.11 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.167 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 t -62.51 -34.4 76.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.7 t -87.51 -42.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.159 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.193 -174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 p -70.73 -20.95 62.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -87.29 -8.65 56.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.077 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.92 2.48 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.6 -15.58 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.579 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -68.22 92.38 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 173.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -170.03 138.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.051 0.453 . . . . 0.0 111.22 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -118.84 120.44 37.33 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -82.62 69.96 9.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -167.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 p80 56.67 148.76 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.79 1.636 . . . . 0.0 114.237 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.7 t60 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 170.493 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.612 0.244 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.59 -41.55 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.81 102.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.092 0.472 . . . . 0.0 110.583 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.902 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -77.47 66.82 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -73.99 -43.48 57.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.288 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -102.58 121.77 43.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.0 t -60.03 134.15 56.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.95 -28.71 70.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -69.33 -38.95 78.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.391 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -62.48 -55.41 27.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.543 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 16' ' ' ILE . 11.4 t -65.01 -39.21 84.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.389 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -54.18 -56.74 15.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.629 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.576 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 50.9 m -69.26 -27.22 65.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.274 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 19' ' ' ILE . 32.4 tp -66.46 -43.32 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 12' ' ' VAL . 84.7 mt -61.2 -41.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.669 174.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.552 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -59.47 -38.45 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.008 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' B' ' 14' ' ' SER . 22.7 mm-40 -57.21 -49.9 74.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.325 0.583 . . . . 0.0 110.013 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.598 HG21 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -63.34 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.552 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.9 mt -61.79 -40.22 94.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.988 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.552 HG21 ' O ' ' B' ' 17' ' ' ALA . 65.0 t -61.01 -42.24 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 22' ' ' VAL . 58.7 t -56.42 -55.82 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.978 0.418 . . . . 0.0 110.61 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.691 HD12 HD21 ' B' ' 37' ' ' LEU . 62.4 mt -57.12 -47.65 80.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.838 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.97 -29.95 61.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -65.84 -44.17 86.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.046 0.45 . . . . 0.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -77.91 -7.18 56.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 tttp 54.79 58.8 4.52 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.474 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.42 116.31 62.99 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.065 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.96 167.46 7.18 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.634 2.222 . . . . 0.0 111.479 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -50.72 -42.15 56.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.307 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.3 -55.56 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.497 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -76.42 -34.6 58.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.658 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -67.64 -46.37 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.5 0.19 . . . . 0.0 111.119 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.43 -37.88 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.83 -40.98 94.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.318 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.13 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.059 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.691 HD21 HD12 ' B' ' 23' ' ' LEU . 4.4 mm? -59.86 -35.97 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.356 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.22 -38.27 94.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.355 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -82.36 -20.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.568 0.223 . . . . 0.0 111.099 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.74 -50.16 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.652 0.263 . . . . 0.0 110.362 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 37' ' ' LEU . 56.5 t -57.76 -46.12 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.336 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -38.58 79.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.821 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.38 -32.46 74.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.598 0.237 . . . . 0.0 110.738 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.32 -43.91 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 0.0 109.94 175.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.694 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 91.0 mt -64.59 -51.0 64.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.214 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.486 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.2 mm-40 -63.23 -18.15 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -100.14 -56.33 2.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.519 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -84.29 -42.56 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.91 127.88 41.41 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.125 -171.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.37 148.56 86.06 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.552 2.168 . . . . 0.0 111.243 174.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' B' ' 54' ' ' ARG . 22.9 t -50.81 -35.27 31.33 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -50.25 -51.48 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.467 0.479 . . . . 0.0 111.22 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m -94.41 -23.14 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.905 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.694 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 36.2 ttm180 -52.91 -53.71 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.36 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.452 HE21 ' C ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.72 -33.69 74.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.287 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.12 80.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.227 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.69 -39.2 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.24 -50.38 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.11 -38.78 89.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.544 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.12 -44.51 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.397 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.7 -43.56 98.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.211 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . . . -59.2 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -66.22 -41.74 89.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 0.0 111.076 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 69' ' ' VAL . 14.4 tp -66.87 -48.26 69.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.987 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -61.29 -42.69 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.903 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -54.18 -48.87 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.375 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -65.76 -34.99 79.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.541 0.21 . . . . 0.0 111.498 -176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 58' ' ' ALA . 58.0 t -67.5 -46.31 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.483 0.659 . . . . 0.0 110.362 175.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.496 ' HG2' ' HG3' ' A' ' 55' ' ' GLN . 34.4 mtpt -74.96 -1.53 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.884 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 60.5 m -78.11 -7.29 56.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.183 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -21.61 66.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.294 0.569 . . . . 0.0 110.347 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.6 mt -98.61 7.53 46.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.332 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.83 137.84 58.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.402 0.144 . . . . 0.0 110.712 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.6 m80 67.47 2.42 2.91 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -99.71 107.17 19.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.833 0.349 . . . . 0.0 110.068 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.541 ' O ' ' HB2' ' B' ' 78' ' ' HIS . 7.1 t-80 -113.87 -97.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.816 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' B' ' 77' ' ' HIS . 40.5 t-80 162.36 -64.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.646 0.778 . . . . 0.0 109.225 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -92.23 146.55 23.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 119.131 -0.461 . . . . 0.0 109.945 178.056 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 178.91 4.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.265 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.46 84.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -150.37 25.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.501 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -80.63 69.97 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.992 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 69.6 -68.29 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.207 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -163.29 170.53 17.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -140.26 175.28 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.029 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.22 -51.04 65.71 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.26 0.35 . . . . 0.0 111.255 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -63.43 -31.13 72.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.7 -45.98 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.186 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.49 -44.68 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.25 -43.99 71.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.84 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -61.98 -40.51 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.6 mp -69.85 -45.83 66.92 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.855 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.4 mt -55.34 -47.38 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 O-C-N 123.24 0.338 . . . . 0.0 110.495 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.8 -38.4 81.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.461 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -68.62 -40.83 80.19 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.058 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.642 HG22 HG23 ' B' ' 19' ' ' ILE . 37.5 mt -65.87 -35.23 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.843 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 78.8 mt -64.2 -35.06 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.5 t -59.3 -40.94 82.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.7 t -58.63 -56.24 17.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 175.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.4 -44.31 72.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.752 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.78 -29.93 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.241 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.79 -43.11 76.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.107 0.48 . . . . 0.0 110.72 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -88.55 -8.69 54.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.884 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 3.9 ttmp? 58.48 59.05 3.11 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.717 0.77 . . . . 0.0 109.328 -174.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.63 124.63 75.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.37 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.53 172.5 13.27 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.62 2.213 . . . . 0.0 111.517 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.455 ' OG1' ' HG3' ' B' ' 48' ' ' LYS . 18.2 m -63.42 -32.55 74.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.003 0.43 . . . . 0.0 110.87 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.69 -52.12 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.127 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 tp -71.32 -33.77 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.349 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 37' ' ' LEU . 6.4 p -68.76 -42.95 76.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.54 -41.37 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.35 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.6 tpp -60.71 -46.7 89.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.661 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.66 79.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 3.4 mm? -56.39 -49.36 74.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.807 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -19.05 58.73 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.078 -177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -95.11 -44.18 7.77 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.667 -0.314 . . . . 0.0 111.155 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 37' ' ' LEU . 27.1 p -67.98 -42.53 80.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.235 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' B' ' 37' ' ' LEU . 62.2 t -60.13 -47.42 92.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.135 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.523 ' OG1' HD22 ' B' ' 65' ' ' LEU . 4.3 m -75.82 -20.3 58.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.494 -174.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -74.12 -39.66 63.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.8 -37.27 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.273 0.559 . . . . 0.0 109.721 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 tt -66.62 -24.24 66.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.328 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.77 -45.06 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -81.77 -39.61 23.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.277 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -100.39 -0.32 38.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.832 -170.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 63.5 t -123.72 130.94 24.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.295 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.553 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 10.0 Cg_endo -54.58 149.91 37.46 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.927 2.418 . . . . 0.0 112.403 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.8 p -49.22 -56.78 8.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.914 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.22 -36.81 85.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.3 t -75.25 -19.38 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 -174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.8 mtt180 -53.59 -43.29 68.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.212 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 46.5 mt-30 -59.73 -52.84 63.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.646 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.27 -48.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.884 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.2 95.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.008 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 45.9 mt-10 -61.47 -49.23 77.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.666 0.27 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -63.66 -46.93 83.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.66 -47.28 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.662 ' HB2' ' HB1' ' B' ' 62' ' ' ALA . . . -63.9 -39.36 94.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -67.28 -40.15 86.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.39 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.97 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.477 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 69' ' ' VAL . 24.1 tp -61.09 -55.74 29.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.272 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.93 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.56 -46.12 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.478 ' HA ' ' OG ' ' A' ' 71' ' ' SER . 13.2 p -67.26 -23.9 65.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.378 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 65' ' ' LEU . 58.9 t -72.43 -28.68 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.497 . . . . 0.0 110.167 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -90.19 -33.47 16.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.478 ' OG ' ' HA ' ' A' ' 68' ' ' SER . 19.4 p -74.96 -1.08 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 111.829 -177.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -94.2 -4.13 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.219 0.533 . . . . 0.0 110.256 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.66 -17.44 51.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.292 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.81 141.14 39.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.18 112.99 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -86.37 51.02 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.33 0.586 . . . . 0.0 110.994 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -124.67 156.95 36.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.379 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -81.04 112.19 18.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -80.49 116.14 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.033 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.314 -177.812 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.7 mtt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.446 0.165 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.59 6.37 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.9 pt -109.19 94.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.661 0.743 . . . . 0.0 111.373 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -105.43 -48.31 3.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.3 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -81.77 90.78 6.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.828 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -151.59 4.14 0.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.979 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 57.43 -166.41 0.14 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.612 170.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.64 132.8 36.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -58.21 -36.15 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.6 m -63.01 -35.36 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -75.93 -49.11 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.457 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -41.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.449 . . . . 0.0 110.069 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.82 -47.33 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.758 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -61.82 -37.28 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.601 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.519 ' O ' HG13 ' B' ' 19' ' ' ILE . 8.8 mp -62.01 -61.14 2.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.246 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -53.8 -39.99 41.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.762 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.483 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -56.16 -60.28 3.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.715 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.15 -33.93 75.39 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.553 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.642 HG23 HG22 ' A' ' 19' ' ' ILE . 73.5 mt -61.52 -45.2 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.031 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.8 -35.92 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.615 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 17' ' ' ALA . 32.8 t -55.97 -48.02 79.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.757 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.427 HG21 ' CG2' ' A' ' 22' ' ' VAL . 79.4 t -60.36 -47.25 93.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.068 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.742 HD12 HD21 ' B' ' 37' ' ' LEU . 58.0 mt -63.76 -44.07 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.25 -32.24 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.7 -35.8 77.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.83 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.424 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 37.1 m170 -72.49 -28.03 62.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.08 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 53.81 44.46 29.52 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 122.07 0.938 . . . . 0.0 108.667 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 143.15 82.11 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.407 -1.269 . . . . 0.0 111.261 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.54 158.89 21.74 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.859 2.373 . . . . 0.0 111.579 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m -61.42 -35.85 78.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.736 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.15 -52.99 62.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.502 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.37 -30.03 69.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.492 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.47 ' O ' HD22 ' B' ' 37' ' ' LEU . 18.4 m -66.5 -55.67 14.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.408 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.07 -37.72 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.91 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -65.07 -46.13 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.421 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.4 69.95 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.857 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.742 HD21 HD12 ' B' ' 23' ' ' LEU . 4.6 mm? -64.32 -39.47 93.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.332 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -48.67 78.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 35.4 m-80 -64.07 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.971 0.415 . . . . 0.0 110.653 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -67.43 -32.47 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.871 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 37' ' ' LEU . 41.3 t -69.46 -50.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.903 0.382 . . . . 0.0 110.249 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.6 p -67.28 -38.91 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.869 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.2 OUTLIER -63.95 -16.33 61.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -177.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.96 -45.58 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.362 . . . . 0.0 110.172 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.461 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 78.8 mt -59.93 -48.65 80.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -75.77 -2.27 29.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.798 0.332 . . . . 0.0 111.56 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -101.05 -49.75 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.559 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.455 ' HG3' ' OG1' ' A' ' 30' ' ' THR . 31.3 mmmt -117.7 6.28 12.38 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 38.7 t -123.58 130.97 24.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.445 0.164 . . . . 0.0 110.803 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.61 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 17.8 Cg_endo -61.12 153.09 67.12 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.862 2.375 . . . . 0.0 111.874 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -53.12 -38.99 63.11 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.86 -50.6 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.252 0.549 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -75.2 -21.52 58.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.53 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.8 mtt180 -53.02 -49.06 67.02 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.72 0.295 . . . . 0.0 110.722 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -71.07 -39.04 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.89 87.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.863 0.363 . . . . 0.0 111.332 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.22 -37.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.075 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.46 -32.25 71.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.598 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.72 -49.16 78.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.869 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 62' ' ' ALA . . . -60.5 -42.49 96.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.928 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.12 -37.24 86.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.073 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.24 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.957 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.523 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.8 mt -63.52 -51.24 66.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.218 0.532 . . . . 0.0 109.642 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.41 83.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.493 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.93 -42.68 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.738 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -64.92 -26.85 68.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.358 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -95.69 -52.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 111.284 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -79.25 -37.45 37.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -169.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 47.0 t -69.74 -7.42 39.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.738 0.304 . . . . 0.0 111.338 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -79.8 -48.31 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.2 -27.13 35.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.904 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -70.45 150.97 45.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.138 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -126.06 174.65 8.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.051 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' B' ' 77' ' ' HIS . 57.4 m-70 -73.28 78.68 1.32 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.919 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' B' ' 76' ' ' HIS . 82.5 t60 175.41 126.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.707 174.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -95.51 -174.64 3.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -68.2 -43.28 78.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.993 172.318 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.93 0.395 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.81 138.67 45.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.67 -45.86 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.021 0.438 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -87.93 108.2 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.158 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -73.99 -176.78 2.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.353 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 46.6 mtpt -57.1 -57.51 12.28 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.533 0.682 . . . . 0.0 110.388 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.7 165.32 36.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.666 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' HG21 ' A' ' 12' ' ' VAL . 41.6 t -82.69 134.65 35.15 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.803 0.335 . . . . 0.0 110.303 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -76.61 -35.44 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.817 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.7 -45.58 93.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.41 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG22 HD13 ' B' ' 32' ' ' LEU . 39.8 t -60.29 -45.63 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.38 -47.76 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.777 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 t -61.56 -38.26 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.656 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.3 tp -63.23 -51.32 66.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.443 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.456 ' HA ' HD12 ' A' ' 19' ' ' ILE . 74.2 mt -59.21 -40.67 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.566 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -56.66 -46.21 81.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.846 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.37 -41.58 97.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.642 HG21 HG22 ' B' ' 19' ' ' ILE . 47.4 mt -61.95 -44.61 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.359 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.54 -40.85 96.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.821 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 17' ' ' ALA . 64.0 t -65.26 -33.73 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' CG2' ' B' ' 22' ' ' VAL . 54.5 t -64.44 -44.33 97.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.314 . . . . 0.0 110.481 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.9 -34.02 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.933 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 11.1 tp10 -61.07 -44.38 97.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.791 0.329 . . . . 0.0 110.392 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HE2' HG11 ' A' ' 21' ' ' VAL . 61.1 mttm -61.58 -24.02 66.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.274 0.559 . . . . 0.0 110.586 176.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' ND1' ' HG ' ' B' ' 15' ' ' LEU . 57.1 m170 -84.86 -30.87 24.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.548 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 57.4 40.66 27.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.632 0.729 . . . . 0.0 109.966 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -78.44 137.29 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.676 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 18.4 Cg_exo -67.01 167.72 19.15 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.216 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -51.08 -40.31 58.09 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.491 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 35' ' ' MET . 4.8 m-20 -55.23 -66.1 0.47 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.124 0.488 . . . . 0.0 110.911 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.54 -30.09 71.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.284 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -63.06 -51.36 67.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.263 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.73 -38.05 89.66 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.456 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 91.8 mmm -61.08 -41.87 97.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.527 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.22 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' HG21 ' A' ' 41' ' ' VAL . 4.1 mm? -57.02 -48.51 78.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.15 87.34 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.191 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -78.05 -46.54 20.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.59 -0.359 . . . . 0.0 111.656 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.1 p -66.08 -38.29 87.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.215 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' B' ' 37' ' ' LEU . 97.4 t -63.47 -48.19 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.491 ' OG1' ' HG ' ' B' ' 65' ' ' LEU . 42.9 m -63.14 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.646 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.55 -28.02 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.9 mt -63.91 -59.34 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.691 0.281 . . . . 0.0 110.897 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.647 HD11 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.5 -7.46 57.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 111.174 -178.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -38.57 36.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.157 0.503 . . . . 0.0 110.362 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -97.71 -19.84 17.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.196 -172.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -115.77 -7.3 12.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 59.2 t -123.34 129.0 25.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.791 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.94 150.47 37.78 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.153 2.569 . . . . 0.0 111.908 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -39.81 72.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -60.13 -36.47 77.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' HG21 ' A' ' 57' ' ' VAL . 49.1 m -97.45 -15.43 20.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.129 0.49 . . . . 0.0 110.876 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG2' HG13 ' B' ' 69' ' ' VAL . 33.3 ttm180 -57.58 -39.81 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.216 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.09 -38.36 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.586 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.21 65.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.547 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 53' ' ' SER . 98.7 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.292 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.16 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.9 -49.94 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.56 -35.2 80.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.59 -44.12 75.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.164 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' B' ' 62' ' ' ALA . . . -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.36 -46.43 88.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.56 88.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.01 -50.79 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.341 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.38 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.397 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.43 -32.69 73.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.468 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -66.42 -37.72 85.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.377 . . . . 0.0 110.333 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.65 -40.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.036 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.74 -27.27 69.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 56.3 m -64.83 -24.84 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.189 0.519 . . . . 0.0 110.439 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -72.62 -32.96 66.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.184 0.516 . . . . 0.0 109.725 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' B' ' 51' ' ' SER . 3.9 mm? -86.37 -49.3 7.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 76' ' ' HIS . 9.3 tp10 -117.52 112.2 20.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.107 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 71' ' ' SER . 6.1 p-80 -152.57 29.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.17 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 74' ' ' GLU . 39.9 p-80 -53.73 116.9 2.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.507 0.67 . . . . 0.0 111.033 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -124.5 81.49 1.95 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.429 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -91.38 -16.69 27.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -81.72 96.02 7.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.806 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.954 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.512 0.196 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.12 33.1 22.65 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.323 0.582 . . . . 0.0 110.218 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.69 130.42 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.609 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -166.53 -93.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.912 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -163.47 122.84 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -91.83 -8.41 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 177.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -127.51 93.68 3.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.809 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -58.25 139.5 54.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.676 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.194 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.26 -56.01 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.048 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.568 ' O ' HG12 ' B' ' 16' ' ' ILE . 50.7 t -60.52 -43.97 95.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.611 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.68 -43.19 89.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 35.4 t -62.64 -39.56 94.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.33 . . . . 0.0 110.43 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.639 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.8 mp -63.69 -49.27 73.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.265 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.568 HG12 ' O ' ' B' ' 12' ' ' VAL . 37.1 mm -54.74 -48.81 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.528 0.518 . . . . 0.0 110.894 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -54.56 -49.06 71.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.465 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 22' ' ' VAL . 31.6 mt-10 -65.56 -34.24 77.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.642 HG22 HG21 ' A' ' 19' ' ' ILE . 21.2 mt -69.79 -38.23 75.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.397 0.618 . . . . 0.0 109.769 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.96 -33.19 74.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.768 175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 17' ' ' ALA . 54.1 t -61.18 -37.42 77.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.298 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.536 ' CG2' HG23 ' A' ' 22' ' ' VAL . 76.7 t -59.69 -53.76 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.174 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.01 -52.13 46.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.373 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.97 -37.77 88.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.84 -22.75 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -106.03 6.46 31.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.62 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.41 45.1 23.32 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 111.312 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.55 120.43 74.15 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.03 171.13 7.93 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.642 2.228 . . . . 0.0 111.569 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -57.92 -38.29 75.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.78 -52.78 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.826 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.571 HD13 HG22 ' A' ' 12' ' ' VAL . 28.7 tp -69.41 -30.79 68.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.692 -176.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -53.19 58.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.63 -39.16 87.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 110.533 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.76 -51.76 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.21 70.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.698 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.624 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mm? -63.47 -36.6 84.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.032 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.34 -51.45 57.97 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.089 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.53 -31.24 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.498 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 t -61.83 -46.19 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 37' ' ' LEU . 52.1 t -61.3 -50.51 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -38.28 81.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.019 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.88 -37.24 84.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.6 mt -66.97 -48.87 67.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.683 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 75.0 mt -61.7 -38.58 88.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.081 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.23 -35.47 77.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.074 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.64 -42.7 9.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.595 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 48' ' ' LYS . 63.9 mmtt -82.98 -43.76 16.03 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.54 130.45 23.23 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.31 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.15 148.4 40.34 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.047 2.498 . . . . 0.0 112.2 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.473 ' HB3' HD13 ' A' ' 73' ' ' LEU . 21.7 m -47.25 -44.42 22.87 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -171.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -69.26 -44.31 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.207 -0.308 . . . . 0.0 111.028 -176.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 57' ' ' VAL . 23.8 t -74.56 -28.53 60.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.683 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 31.1 ttm180 -54.08 -45.44 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.197 175.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -68.14 -39.18 82.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.9 86.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 53' ' ' SER . 65.8 t -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.334 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.18 96.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.67 -46.85 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.342 0.591 . . . . 0.0 110.699 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -77.41 -30.0 53.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.986 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.72 -51.67 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.094 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 62' ' ' ALA . . . -61.59 -34.12 75.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -69.02 -37.96 78.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.891 178.589 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.61 95.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.491 ' HG ' ' OG1' ' A' ' 42' ' ' THR . 9.8 mp -63.1 -48.79 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.585 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.7 89.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.3 -38.69 88.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.9 t -62.48 -47.27 84.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.428 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 54' ' ' ARG . 94.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -71.45 -26.2 62.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.998 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -77.71 -19.56 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.699 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.87 -21.73 64.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.101 0.477 . . . . 0.0 109.872 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.06 -0.83 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.235 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.65 -50.66 62.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -92.12 101.25 13.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.376 0.608 . . . . 0.0 109.717 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -118.51 108.26 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.491 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.425 ' C ' ' H ' ' B' ' 79' ' ' HIS . 70.4 t60 -97.5 33.86 1.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.471 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' B' ' 80' ' ' HIS . 7.4 t60 68.86 -12.09 0.4 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.384 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.425 ' H ' ' C ' ' B' ' 77' ' ' HIS . 30.7 t-80 64.71 24.6 12.93 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.57 0.7 . . . . 0.0 109.265 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.408 ' HB3' ' CD2' ' B' ' 78' ' ' HIS . 77.7 t60 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.609 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.622 0.249 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.29 -80.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.88 125.99 61.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.372 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 68.13 -76.82 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.678 0.611 . . . . 0.0 110.326 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m 61.19 -86.26 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.328 0.651 . . . . 0.0 111.813 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -130.35 10.12 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 111.015 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -142.91 -174.75 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.922 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' HG21 ' A' ' 12' ' ' VAL . 31.2 t -127.74 128.36 45.23 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.39 -43.41 83.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.85 0.357 . . . . 0.0 110.186 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 m -60.19 -43.27 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.655 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -62.37 -49.16 76.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.678 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.9 t -58.82 -47.76 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.429 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.4 -42.38 95.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.318 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.5 t -62.84 -39.24 93.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -67.15 -41.71 85.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.801 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.7 mt -57.37 -47.48 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -59.6 -35.61 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.279 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 42.4 tt0 -67.13 -49.08 66.08 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 110.28 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.606 HG22 HG21 ' B' ' 19' ' ' ILE . 51.0 mt -60.3 -37.44 73.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.77 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 76.3 mt -63.32 -40.55 97.62 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.14 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 17' ' ' ALA . 83.0 t -56.41 -44.11 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.92 0.39 . . . . 0.0 110.601 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.653 HG21 HG21 ' B' ' 22' ' ' VAL . 67.9 t -59.01 -46.13 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 37' ' ' LEU . 95.2 mt -62.82 -41.6 99.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.688 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 45.1 mt-10 -59.71 -39.26 84.03 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -59.47 -29.13 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.658 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.508 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 28.9 m170 -83.43 -29.4 28.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.879 -177.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 56.27 46.27 21.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.619 0.723 . . . . 0.0 109.224 -170.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.75 136.44 63.09 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.107 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.83 164.11 28.22 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.736 2.291 . . . . 0.0 111.741 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.62 -37.69 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.328 0.585 . . . . 0.0 111.074 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.6 -45.58 86.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.575 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.21 -37.9 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.166 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' O ' HD21 ' A' ' 37' ' ' LEU . 6.1 p -64.51 -48.04 76.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.865 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.45 -38.24 80.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.897 0.379 . . . . 0.0 110.594 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.19 -46.88 82.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.857 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' B' ' 41' ' ' VAL . 3.9 mm? -58.8 -44.75 90.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.989 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -48.44 83.95 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.478 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.91 -37.71 88.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.1 t -61.36 -53.42 56.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 37' ' ' LEU . 84.5 t -57.87 -45.29 87.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 m -62.92 -39.85 95.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -72.95 -28.69 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 97.4 mt -68.9 -44.9 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.37 -25.78 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.386 177.173 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -72.45 -49.29 34.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -90.55 -42.04 11.04 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -169.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.82 -7.06 47.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 46.5 t -123.42 124.57 26.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.613 0.244 . . . . 0.0 110.915 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.08 150.0 86.42 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.031 2.487 . . . . 0.0 112.009 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 p -49.77 -43.61 48.25 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.15 -47.81 71.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -90.3 -12.27 38.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.385 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -61.58 -39.79 92.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.433 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' HA ' HG11 ' B' ' 69' ' ' VAL . 34.4 tt0 -77.26 -35.48 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.25 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.53 ' HB ' HD21 ' A' ' 45' ' ' LEU . 90.3 t -66.87 -36.33 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.04 79.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.3 -53.96 52.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.016 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.95 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.341 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.27 -46.68 87.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB3' ' HB1' ' B' ' 62' ' ' ALA . . . -60.19 -40.83 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.119 0.485 . . . . 0.0 111.3 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -75.71 -35.81 60.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.733 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.5 -36.16 82.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.37 -49.9 76.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.177 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.46 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.025 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.45 -30.59 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 m -66.27 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.238 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.21 -29.95 38.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.573 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HA ' HD13 ' A' ' 73' ' ' LEU . 32.2 mmtp -66.03 -7.85 19.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.261 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -60.41 -30.71 69.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.015 0.435 . . . . 0.0 110.845 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -76.05 -41.41 50.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.577 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 70' ' ' LYS . 6.4 mp -70.1 -60.13 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.339 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.8 88.8 4.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.258 0.551 . . . . 0.0 111.251 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -104.5 17.23 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.689 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 71.52 -68.27 0.23 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.964 -1.016 . . . . 0.0 112.205 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 65.63 -78.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.124 0.57 . . . . 0.0 110.186 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -173.56 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 74.22 -63.24 0.43 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.257 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.634 -0.698 . . . . 0.0 109.204 177.619 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.547 0.213 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 176.73 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.67 55.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.232 0.539 . . . . 0.0 110.763 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 14.5 mm-40 62.68 4.32 1.38 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 172.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m 57.94 84.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.207 0.317 . . . . 0.0 110.742 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.45 -38.18 66.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -115.21 121.24 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.367 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -56.02 139.84 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -60.07 -35.03 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -70.99 -22.62 62.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -76.18 -52.39 10.16 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.61 -46.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.244 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.9 -43.62 98.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.451 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 35.7 t -56.21 -51.79 66.77 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.55 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.614 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.9 mp -57.56 -54.01 51.7 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 87.6 mt -54.74 -47.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.486 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -64.57 -43.12 94.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.282 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' O ' HG22 ' B' ' 22' ' ' VAL . 12.8 pt-20 -77.84 -22.83 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.263 -173.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 15' ' ' LEU . 65.3 mt -73.79 -34.89 41.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.39 -37.0 85.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.933 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 17' ' ' ALA . 69.5 t -58.05 -40.2 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.404 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.653 HG21 HG21 ' A' ' 22' ' ' VAL . 45.0 t -55.03 -56.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.23 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.665 HD12 HD23 ' B' ' 37' ' ' LEU . 94.9 mt -57.1 -51.91 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.404 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.09 -28.69 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 18' ' ' GLU . 20.2 pttm -68.81 -27.34 65.77 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.981 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -110.06 6.17 22.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 110.004 170.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tttp 44.13 43.93 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.975 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 127.8 3.03 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.826 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.56 168.36 4.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.304 2.669 . . . . 0.0 112.703 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -58.24 -51.93 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.555 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.95 -50.42 73.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.74 -38.76 82.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.927 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' HD21 ' B' ' 37' ' ' LEU . 50.2 m -61.68 -49.79 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.426 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.17 -39.19 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 91.8 mtp -64.49 -51.07 64.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.43 76.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.04 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.665 HD23 HD12 ' B' ' 23' ' ' LEU . 4.6 mm? -64.3 -44.34 91.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.368 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.55 -47.02 92.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.437 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.04 -29.33 67.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.568 0.223 . . . . 0.0 110.673 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.44 -46.44 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.719 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 37' ' ' LEU . 80.3 t -58.22 -45.01 89.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.005 0.431 . . . . 0.0 110.238 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.8 m -66.31 -39.55 89.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.456 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -58.42 -37.83 76.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.128 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 95.8 mt -64.01 -47.24 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.781 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 84.6 mt -62.38 -41.92 99.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.46 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 42' ' ' THR . 8.5 mm-40 -57.94 -52.64 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -102.11 6.07 40.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -169.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 44' ' ' LEU . 72.9 mmtt -120.14 -50.34 2.26 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.938 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 t -97.08 133.05 24.6 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.865 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.39 141.71 89.21 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.748 2.299 . . . . 0.0 111.046 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -49.53 -39.02 32.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.966 0.506 . . . . 0.0 112.338 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.58 -51.49 69.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.442 ' O ' HG22 ' B' ' 57' ' ' VAL . 20.5 t -77.99 -27.07 48.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.211 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.781 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 37.1 ttm180 -53.21 -49.61 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.09 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.14 -44.22 97.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.323 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.44 97.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.824 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.442 HG22 ' O ' ' B' ' 53' ' ' SER . 96.7 t -65.41 -44.85 94.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.345 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.12 82.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.04 -36.96 78.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.255 0.55 . . . . 0.0 110.158 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.56 -46.56 82.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.285 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 62' ' ' ALA . . . -58.04 -41.83 84.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.49 -52.11 65.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.72 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.46 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.05 -54.34 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.125 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -63.86 -39.19 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.386 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.14 -39.38 82.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.583 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.1 m -65.12 -39.55 93.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.362 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 55' ' ' GLN . 49.1 t -71.99 -34.87 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.855 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 68.5 mttm -61.7 -43.05 99.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.743 177.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' B' ' 74' ' ' GLU . 7.4 t -72.1 -7.64 50.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.495 0.664 . . . . 0.0 109.338 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.73 -52.04 3.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.535 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' B' ' 71' ' ' SER . 38.8 mt-10 -81.41 102.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.616 176.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -81.96 -162.32 0.53 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.133 -174.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -57.53 126.92 29.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.837 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.79 -66.34 0.56 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.979 -171.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -118.1 123.55 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.907 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -133.86 -42.66 0.82 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.482 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.451 -179.489 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mtm . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.769 ' HB3' ' HB2' ' A' ' 5' ' ' SER . . . -118.14 130.59 56.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.951 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -88.65 -68.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -105.5 -3.37 22.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.769 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 2.9 m -76.08 84.95 2.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.723 -177.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -73.03 -34.8 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -133.44 163.35 29.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.453 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p -87.36 145.99 26.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.05 -31.76 71.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.924 0.392 . . . . 0.0 110.357 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -60.56 -44.59 95.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.708 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -66.0 -44.95 83.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.779 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.1 -48.37 84.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.17 -38.11 78.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -62.17 -43.98 97.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.589 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.9 tt -60.71 -47.51 85.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.683 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.538 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.3 mt -59.13 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.17 -39.99 84.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.66 -47.99 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.153 0.502 . . . . 0.0 110.336 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 15' ' ' LEU . 8.0 mt -64.59 -37.04 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.325 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 89.1 mt -66.12 -36.75 83.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.939 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 17' ' ' ALA . 73.7 t -59.08 -44.11 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.352 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG23 HG22 ' B' ' 22' ' ' VAL . 87.6 t -63.81 -35.15 72.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.157 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.78 -41.13 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -66.45 -34.23 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.211 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 71.0 mmtt -58.15 -43.27 87.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.541 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -99.82 -14.21 18.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 56.72 71.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.36 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.81 124.14 69.54 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.361 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.02 171.08 6.57 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.433 2.089 . . . . 0.0 111.784 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.7 m -53.91 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 0.0 110.96 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.1 -51.15 70.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.82 -38.73 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.774 -176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m -63.02 -45.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.086 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 30' ' ' THR . 94.0 mt -60.81 -41.11 95.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 0.0 110.74 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.51 -45.64 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.997 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mm? -59.6 -50.24 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.98 -45.47 95.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.842 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.39 -34.88 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 0.162 . . . . 0.0 111.064 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 47.0 t -68.23 -35.06 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.659 0.266 . . . . 0.0 110.574 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' LEU . 67.9 t -63.68 -48.79 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -63.6 -38.83 92.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.373 0.606 . . . . 0.0 109.937 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.638 ' HD1' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t-80 -48.54 -54.16 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.442 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.638 ' HG ' ' HD1' ' A' ' 43' ' ' HIS . 6.8 mt -72.83 -26.13 61.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.522 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 49' ' ' VAL . 88.2 mt -65.95 -44.83 83.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.915 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -79.46 -8.46 59.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.562 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -107.77 -52.04 2.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -115.64 13.14 16.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.488 HG23 HD22 ' A' ' 45' ' ' LEU . 50.3 t -123.63 131.58 24.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.59 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 Cg_endo -50.55 145.36 22.58 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.119 2.546 . . . . 0.0 112.106 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 m -51.29 -56.63 11.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -169.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.62 -13.97 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.892 0.377 . . . . 0.0 111.411 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 45.7 t -86.27 -24.04 26.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.12 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 98.6 mtt180 -53.97 -48.16 70.62 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.881 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -38.33 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.976 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -62.28 -52.16 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.692 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.7 -38.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.38 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.18 83.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 75.0 mm-40 -60.89 -49.75 76.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 23.9 mt-30 -58.39 -52.74 64.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.13 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -61.42 -44.78 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HB3' ' HB1' ' B' ' 62' ' ' ALA . . . -60.65 -43.29 97.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 59' ' ' GLU . 37.4 mttm -74.37 -35.22 63.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.604 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.09 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.584 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.32 -49.28 74.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.553 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.34 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.935 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 6.3 tp60 -65.23 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.78 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -64.74 -35.36 80.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.834 0.35 . . . . 0.0 110.282 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.01 -42.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.575 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.46 -42.65 92.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.42 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 44.5 m -80.75 -4.39 54.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.814 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -73.32 -37.99 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 51' ' ' SER . 98.2 mt -94.3 -57.1 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.842 175.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 71' ' ' SER . 0.0 OUTLIER 47.77 54.54 9.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.704 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.06 125.47 23.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.29 128.72 10.01 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.483 0.49 . . . . 0.0 111.37 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -55.19 -65.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.659 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 70.87 -58.1 0.58 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.691 0.619 . . . . 0.0 112.324 171.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -87.06 134.92 33.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.709 0.29 . . . . 0.0 110.513 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.1 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.996 179.057 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.987 0.422 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 98.45 11.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 tt -82.8 135.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.89 119.99 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.321 0.581 . . . . 0.0 110.736 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -81.35 149.59 28.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.318 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -63.81 -57.97 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.071 0.462 . . . . 0.0 109.84 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -86.42 89.68 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 170.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -79.23 144.97 33.85 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.444 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.53 -25.57 68.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.27 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -63.72 -38.7 92.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.26 0.552 . . . . 0.0 110.181 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.63 -50.13 59.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.363 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 16' ' ' ILE . 25.8 t -62.76 -43.05 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.13 -45.11 79.68 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -62.27 -41.01 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 tp -65.25 -45.29 85.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.369 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 12' ' ' VAL . 88.0 mt -61.06 -43.57 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.658 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.593 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -58.0 -41.68 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.89 -45.71 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 9.4 pt -70.27 -29.97 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.885 0.374 . . . . 0.0 110.709 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.425 HD21 HG21 ' B' ' 16' ' ' ILE . 5.6 mp -69.4 -39.32 78.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 176.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.593 HG22 ' O ' ' B' ' 17' ' ' ALA . 70.0 t -56.46 -44.68 80.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.428 HG12 ' CE1' ' B' ' 26' ' ' HIS . 61.9 t -60.13 -53.05 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.03 -43.02 95.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.7 -16.95 60.09 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.588 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 93.9 mttt -72.88 -15.53 61.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.222 0.534 . . . . 0.0 109.764 169.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.428 ' CE1' HG12 ' B' ' 22' ' ' VAL . 13.4 m170 -92.32 -22.99 19.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.813 173.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 tttt 50.56 62.38 2.72 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.113 -165.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' B' ' 29' ' ' PRO . . . -76.52 118.23 70.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.816 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 36.9 Cg_endo -66.19 164.05 29.37 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.603 2.202 . . . . 0.0 110.932 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -44.37 48.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.395 0.434 . . . . 0.0 111.645 -176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.31 -58.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.937 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.39 -30.98 66.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -71.55 -48.6 47.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.684 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.19 -34.73 77.0 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.2 tpp -59.93 -51.17 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.28 72.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG21 ' B' ' 41' ' ' VAL . 4.4 mm? -59.96 -47.14 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.376 -178.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.53 -43.01 96.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.099 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.566 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 30.6 m-80 -69.01 -31.22 69.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.587 0.232 . . . . 0.0 111.281 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.538 ' SG ' HG23 ' A' ' 16' ' ' ILE . 76.6 m -70.34 -33.06 71.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.538 0.209 . . . . 0.0 110.756 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.483 HG21 ' O ' ' B' ' 37' ' ' LEU . 58.1 t -68.02 -47.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.844 0.354 . . . . 0.0 110.366 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -69.19 -37.25 78.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.761 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.0 OUTLIER -54.13 -30.66 49.81 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.309 177.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' CE1' ' B' ' 43' ' ' HIS . 66.9 mt -85.98 -44.61 12.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 110.64 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 35.3 mt -61.72 -35.51 78.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.24 -178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.87 -38.21 19.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -39.12 17.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.863 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 10.4 mmpt? -98.46 -37.52 9.56 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.784 -173.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 26.9 t -96.26 131.3 28.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.726 0.298 . . . . 0.0 111.03 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.503 ' HB2' ' OE1' ' B' ' 52' ' ' GLU . 22.1 Cg_exo -65.28 150.29 87.52 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 111.435 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 73' ' ' LEU . 3.5 m -54.39 -40.26 68.04 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -170.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.503 ' OE1' ' HB2' ' B' ' 50' ' ' PRO . 0.0 OUTLIER -66.28 -50.09 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.425 0.631 . . . . 0.0 110.004 -178.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.405 ' O ' HG22 ' B' ' 57' ' ' VAL . 9.8 m -70.74 -25.49 62.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -57.53 -44.43 85.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.811 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.93 -42.81 89.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.959 0.409 . . . . 0.0 110.712 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.65 -45.77 88.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.12 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 53' ' ' SER . 97.4 t -66.85 -40.95 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.798 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.87 -37.11 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.148 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.66 -39.56 84.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.513 . . . . 0.0 109.939 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.88 -46.43 89.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.15 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 62' ' ' ALA . . . -57.44 -40.88 79.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.85 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -60.24 -57.23 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.922 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.07 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 111.246 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.33 -62.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.585 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -66.38 -32.38 73.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.838 -173.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.57 -34.75 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.539 0.209 . . . . 0.0 110.437 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 69.4 m -64.67 -38.52 91.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.18 -42.06 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.925 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 63.6 mttp -62.48 -44.3 96.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.112 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 39.3 t -69.29 -28.91 66.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.736 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.88 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.701 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.17 -68.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.631 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 47.45 82.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.908 0.755 . . . . 0.0 111.907 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -103.64 157.4 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 68.37 17.88 9.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 109.995 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -146.13 135.44 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.08 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -128.03 148.44 50.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.696 0.284 . . . . 0.0 110.877 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -93.85 -34.79 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.22 177.579 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.824 0.345 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.17 23.02 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 pt -65.25 149.69 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.269 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.34 68.65 0.78 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.12 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -76.64 91.35 3.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.913 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -66.84 -43.32 84.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.892 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -136.05 147.66 48.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -84.76 138.14 32.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -57.59 -39.41 76.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.826 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -55.27 -38.96 69.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.748 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.456 HE22 HD23 ' A' ' 15' ' ' LEU . 17.7 tm0? -67.85 -57.35 6.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.17 -44.68 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.114 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.22 -47.51 84.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -70.66 -34.58 72.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.489 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' O ' HG12 ' A' ' 19' ' ' ILE . 45.5 tp -60.88 -53.25 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.087 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.09 -46.13 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.32 -46.21 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.67 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -69.63 -30.86 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -61.86 -45.15 99.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.69 0.757 . . . . 0.0 109.015 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.72 -35.77 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.623 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.6 t -57.85 -41.12 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 177.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.26 -54.21 38.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.617 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.11 -44.65 79.29 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.763 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -72.29 -32.38 66.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.255 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.34 -32.65 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -87.9 -0.05 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.133 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt 44.14 49.26 7.63 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.333 1.021 . . . . 0.0 111.098 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.28 132.42 86.07 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.724 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HD2' HD21 ' A' ' 32' ' ' LEU . 46.9 Cg_exo -57.23 162.05 10.25 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.442 2.095 . . . . 0.0 111.157 173.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -54.95 -45.03 74.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.94 0.4 . . . . 0.0 111.202 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.55 -32.81 70.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.465 -178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD13 HG23 ' B' ' 12' ' ' VAL . 47.6 tp -73.9 -39.89 63.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.686 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -60.31 -45.48 93.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.187 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.03 -37.58 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.904 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 tpp -61.23 -60.18 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.69 80.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 0.0 111.258 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' HG ' HG22 ' B' ' 41' ' ' VAL . 11.2 tp -66.19 -47.94 72.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.321 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.61 95.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.581 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 14.1 m120 -58.69 -50.55 73.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 174.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.29 -47.9 83.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 37' ' ' LEU . 89.1 t -56.59 -50.55 73.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.536 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.443 ' OG1' HD22 ' B' ' 65' ' ' LEU . 3.1 m -78.86 -28.68 44.25 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.65 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -70.94 -23.48 62.25 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.162 0.505 . . . . 0.0 110.637 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 43.8 mt -75.83 -32.81 59.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.882 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.51 -36.08 73.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.011 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.55 ' HB2' ' HG3' ' A' ' 47' ' ' ARG . 35.7 mt-10 -59.77 -57.64 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.771 0.796 . . . . 0.0 111.735 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HG3' ' HB2' ' A' ' 46' ' ' GLU . 11.8 mtt-85 -105.64 -3.03 22.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.22 -160.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 40.8 mmtm -111.06 -24.57 10.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.021 0.438 . . . . 0.0 110.514 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.48 135.29 24.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.554 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 34.8 Cg_exo -61.55 150.33 85.83 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.498 2.132 . . . . 0.0 112.124 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -46.67 -42.44 16.46 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.55 -43.23 81.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.4 t -82.29 -14.85 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.3 mtt180 -55.01 -48.14 73.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.793 0.33 . . . . 0.0 110.684 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 29.5 tt0 -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.797 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.09 74.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.06 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.37 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.44 69.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 29.5 mt-10 -68.33 -44.63 74.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.392 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.56 -37.22 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 111.102 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.13 -46.39 77.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.219 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' B' ' 62' ' ' ALA . . . -61.11 -40.46 93.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 94.8 mttt -64.35 -47.95 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.93 -35.89 77.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 HD23 HG11 ' B' ' 41' ' ' VAL . 10.6 tp -62.47 -54.45 39.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.12 82.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.092 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -66.42 -36.18 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.987 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.6 m -62.19 -36.79 82.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.337 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.57 -48.61 71.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.263 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -56.25 -47.4 78.6 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.029 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.59 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 70.1 m -83.53 0.07 48.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -86.22 -30.04 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.62 -52.42 3.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.107 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 71' ' ' SER . 21.9 mt-10 64.33 -72.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.968 0.907 . . . . 0.0 112.622 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.8 96.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.134 0.493 . . . . 0.0 110.544 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -84.78 159.73 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.852 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -87.11 20.09 2.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -138.18 101.56 4.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.347 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -64.73 -52.09 58.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.925 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.188 176.621 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.049 0.452 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 163.63 40.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 tt -99.64 90.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 55.74 36.96 28.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.309 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -90.71 103.5 16.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -76.61 93.1 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.761 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 71.7 -168.2 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.84 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -146.93 119.05 8.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.34 -1.3 . . . . 0.0 108.447 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -57.0 -39.33 74.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.022 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -70.16 -31.95 69.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.315 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.27 -52.01 45.96 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.449 HG23 HD13 ' A' ' 32' ' ' LEU . 37.4 t -56.68 -44.15 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.267 0.556 . . . . 0.0 110.17 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.48 -41.75 99.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.701 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t -66.25 -38.6 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' B' ' 19' ' ' ILE . 7.2 mp -60.02 -58.03 10.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.579 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -50.77 -45.59 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 123.568 0.543 . . . . 0.0 111.335 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.443 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -61.38 -47.18 87.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.815 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.94 -33.68 64.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.314 . . . . 0.0 111.252 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 15' ' ' LEU . 60.4 mt -64.82 -36.1 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' A' ' 43' ' ' HIS . 77.9 mt -65.4 -34.82 79.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.622 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 17' ' ' ALA . 83.4 t -57.66 -43.26 83.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.315 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -49.14 68.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.345 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.72 -45.24 63.53 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.47 174.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.75 -30.73 61.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -57.83 -44.59 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.7 -0.63 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HZ1' ' HB3' ' B' ' 27' ' ' LYS . 2.3 ttpm? 48.5 70.36 0.46 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.897 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.44 123.2 57.31 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.219 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.42 173.02 5.76 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.793 2.329 . . . . 0.0 111.044 172.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -56.1 -45.02 79.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.99 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -43.43 85.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 tp -79.86 -37.15 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.127 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.463 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 12.2 p -69.49 -43.05 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.2 -37.67 86.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.652 0.263 . . . . 0.0 110.506 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -61.82 -47.22 86.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.423 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -57.73 11.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.535 ' O ' HG21 ' B' ' 41' ' ' VAL . 66.0 mt -56.02 -41.47 74.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.667 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.24 87.59 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -73.79 -31.2 63.17 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.784 -0.245 . . . . 0.0 110.476 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -62.3 -50.31 72.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.695 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 37' ' ' LEU . 47.3 t -58.34 -49.04 83.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -70.27 -33.02 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.047 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' B' ' 47' ' ' ARG . 52.1 t60 -71.17 -31.04 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.14 -37.88 78.51 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.223 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.58 -55.17 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.727 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.33 -6.43 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.762 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' B' ' 43' ' ' HIS . 1.4 tmt_? -95.99 -61.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.445 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -104.91 -24.1 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 40.8 t -91.65 131.14 36.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.546 0.212 . . . . 0.0 111.03 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 49' ' ' VAL . 17.1 Cg_exo -68.11 139.68 47.29 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.77 2.314 . . . . 0.0 112.05 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.62 ' HA ' ' HB2' ' B' ' 54' ' ' ARG . 14.9 m -39.72 -39.05 0.71 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.23 -37.65 88.22 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.1 -0.375 . . . . 0.0 111.729 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -96.53 -13.36 23.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.62 ' HB2' ' HA ' ' B' ' 51' ' ' SER . 12.7 tpp85 -43.23 -64.19 0.68 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.13 0.972 . . . . 0.0 111.41 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.25 -30.17 62.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.941 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -37.46 82.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.7 -41.79 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.85 73.52 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.913 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -65.26 -46.16 81.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.215 179.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.26 -35.58 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.448 ' CE2' HD12 ' B' ' 65' ' ' LEU . 57.9 t80 -60.11 -45.84 91.62 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.47 0.653 . . . . 0.0 109.655 176.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -60.39 -37.53 81.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.118 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' B' ' 67' ' ' GLN . 65.2 mttm -56.5 -48.72 76.58 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.08 78.38 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.448 HD12 ' CE2' ' B' ' 61' ' ' PHE . 0.6 OUTLIER -69.84 -43.85 71.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.068 -177.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.79 88.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.615 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 26.4 mt-30 -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.279 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -68.22 -40.98 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.055 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.44 -42.19 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.32 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -69.39 -33.63 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.2 m -83.83 -1.79 55.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.155 0.502 . . . . 0.0 110.812 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.0 -28.25 32.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.93 -48.59 7.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.144 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 69.55 163.43 0.24 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.963 0.887 . . . . 0.0 112.771 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -147.57 125.16 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.806 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 32.2 m170 57.12 -131.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -173.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 57.2 56.36 5.25 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.424 0.452 . . . . 0.0 110.77 172.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -54.95 136.22 47.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.509 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -94.24 -66.68 0.9 Allowed 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.574 176.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.68 0.276 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.03 -66.1 0.29 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.517 0.727 . . . . 0.0 112.552 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.68 138.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.996 0.426 . . . . 0.0 111.61 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -80.65 77.2 7.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.889 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -162.43 -86.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? 177.22 -38.54 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -165.96 171.47 12.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.105 -1.407 . . . . 0.0 107.669 166.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -143.76 170.66 15.46 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.055 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -61.15 -38.55 86.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.189 0.305 . . . . 0.0 111.087 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -60.92 -32.35 71.85 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -77.38 -34.29 54.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.169 0.509 . . . . 0.0 109.706 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 16' ' ' ILE . 59.2 t -69.66 -43.78 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.863 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.06 -50.48 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 p -63.71 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.282 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' B' ' 26' ' ' HIS . 3.6 mp -70.1 -48.96 55.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.709 175.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 12' ' ' VAL . 85.0 mt -54.8 -40.29 51.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.107 177.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -55.36 -52.02 64.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.008 176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -56.07 -45.6 79.25 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.885 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.548 HG22 HG22 ' B' ' 19' ' ' ILE . 39.1 mt -64.2 -45.3 96.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.851 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.58 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 49.5 t -58.69 -41.96 83.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG23 HG23 ' B' ' 22' ' ' VAL . 93.3 t -58.94 -48.71 85.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 120.866 0.365 . . . . 0.0 110.588 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 37' ' ' LEU . 92.5 mt -58.54 -34.45 71.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.365 175.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -71.26 -45.64 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 29.9 mtpp -56.06 -45.24 79.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.426 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.83 -4.37 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 pttm 36.01 72.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.277 0.986 . . . . 0.0 112.08 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.96 75.72 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.732 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.99 163.46 25.41 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.566 2.177 . . . . 0.0 111.51 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.6 m -53.99 -46.28 71.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 35' ' ' MET . 6.0 m-20 -58.17 -54.53 45.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 110.368 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 tp -62.65 -33.33 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.499 ' HB3' HD11 ' B' ' 44' ' ' LEU . 44.9 m -61.15 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.606 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.346 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 90.4 mmm -62.61 -45.86 90.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.96 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.14 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' B' ' 41' ' ' VAL . 4.6 mm? -59.82 -36.86 77.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.524 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.13 78.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.499 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -73.99 -17.79 60.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.631 0.253 . . . . 0.0 111.127 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' SG ' HG23 ' B' ' 16' ' ' ILE . 92.8 m -66.43 -46.33 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.73 -45.7 90.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -40.11 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.101 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.42 -34.01 73.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.662 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 98.4 mt -64.96 -48.06 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 82.0 mt -55.3 -48.59 73.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.617 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.21 -62.33 1.96 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.334 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 14.4 mmt180 -105.21 6.54 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -167.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 14.5 mptt -117.86 -24.33 7.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 172.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.5 t -113.75 135.84 22.01 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.391 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.4 Cg_endo -55.02 151.3 34.63 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.873 2.382 . . . . 0.0 112.43 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -50.61 -54.14 25.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.5 -29.5 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 0.0 111.281 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 50' ' ' PRO . 66.3 m -80.72 -24.58 38.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 93.9 mtt180 -54.87 -44.74 74.31 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.04 -47.72 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.35 80.93 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.512 -176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.85 -36.64 70.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.675 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -48.37 81.6 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.571 0.224 . . . . 0.0 110.46 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 63' ' ' LYS . 3.8 tp10 -51.58 -53.71 35.29 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.876 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.76 -51.52 58.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.435 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -60.97 -44.25 97.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.241 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.85 94.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.05 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HZ2' ' CD ' ' A' ' 59' ' ' GLU . 92.7 mttt -83.26 -24.4 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.528 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.03 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.937 0.399 . . . . 0.0 110.065 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' O ' HG21 ' A' ' 69' ' ' VAL . 14.6 tp -62.33 -51.16 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.69 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.868 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.91 -48.8 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.157 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 m -63.86 -40.49 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 65' ' ' LEU . 89.1 t -68.8 -31.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.797 ' HZ3' ' HB2' ' A' ' 70' ' ' LYS . 4.7 ttmp? -72.4 -36.47 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.4 t -88.9 0.65 56.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.397 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.86 -28.14 64.36 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.216 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.71 -53.68 31.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.399 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 70.4 157.04 0.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.013 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.99 -138.04 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.71 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 77.15 -59.62 0.47 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.569 0.748 . . . . 0.0 111.776 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -94.15 102.31 14.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.124 0.488 . . . . 0.0 110.767 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -81.4 75.34 8.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.044 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -99.11 -8.73 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 167.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 114.317 -1.311 . . . . 0.0 108.154 174.15 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.464 0.173 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.449 ' O ' HG22 ' B' ' 3' ' ' ILE . . . 71.2 152.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.591 0.756 . . . . 0.0 111.821 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.449 HG22 ' O ' ' B' ' 2' ' ' ALA . 1.7 tt 71.36 -38.51 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.556 1.142 . . . . 0.0 112.091 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -91.04 77.94 6.0 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -169.87 86.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.794 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -77.22 -57.77 3.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -112.85 172.58 6.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.048 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.6 t -80.88 123.34 28.21 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -58.26 -33.18 69.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.885 0.374 . . . . 0.0 110.08 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -61.3 -48.03 83.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.089 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -60.84 -49.84 75.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.135 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.407 ' O ' HG13 ' B' ' 16' ' ' ILE . 46.4 t -61.71 -49.14 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.85 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.645 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.8 m -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.768 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.416 ' O ' HG13 ' B' ' 19' ' ' ILE . 40.6 tp -65.36 -45.52 83.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 110.281 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.487 HG23 ' SG ' ' A' ' 40' ' ' CYS . 82.4 mt -56.32 -42.65 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.942 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.507 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -60.81 -41.3 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 14' ' ' SER . 13.2 mm-40 -53.64 -48.48 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.43 0.633 . . . . 0.0 110.402 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.548 HG22 HG22 ' A' ' 19' ' ' ILE . 10.4 mt -68.2 -44.08 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.891 -177.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.12 -40.0 92.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.658 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 17' ' ' ALA . 53.1 t -58.99 -41.37 83.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.404 HG23 HG23 ' A' ' 22' ' ' VAL . 70.2 t -54.94 -51.99 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.721 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.758 HD13 HD21 ' B' ' 37' ' ' LEU . 98.7 mt -61.55 -55.09 34.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.048 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.04 -23.13 61.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.06 -48.13 82.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.614 ' CE1' HD22 ' A' ' 15' ' ' LEU . 9.1 p80 -96.19 4.62 52.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.417 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 78.7 tttt 67.09 44.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.404 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.57 ' HB3' ' NE2' ' B' ' 26' ' ' HIS . . . -53.08 114.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 171.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.09 159.74 33.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -51.58 -42.45 61.91 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.451 0.469 . . . . 0.0 112.207 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -36.31 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.205 0.526 . . . . 0.0 110.646 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 tp -84.07 -34.38 24.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.926 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 23.7 p -68.76 -47.15 66.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 0.0 110.608 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.7 -39.73 94.93 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.491 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.4 tpp -60.11 -52.14 66.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.99 -49.06 76.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.758 HD21 HD13 ' B' ' 23' ' ' LEU . 0.2 OUTLIER -62.29 -44.77 95.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -177.458 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -45.04 93.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.363 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -68.55 -32.71 72.83 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.954 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.414 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 75.0 m -67.2 -47.7 70.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.478 0.18 . . . . 0.0 110.936 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 37' ' ' LEU . 91.1 t -57.14 -45.03 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.561 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -69.45 -37.74 77.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.546 ' HA ' ' OE2' ' B' ' 46' ' ' GLU . 41.5 t60 -64.82 -32.51 74.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.196 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 33' ' ' SER . 94.5 mt -67.2 -38.38 85.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.101 0.477 . . . . 0.0 110.002 177.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.824 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 87.2 mt -64.89 -28.78 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.11 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.546 ' OE2' ' HA ' ' B' ' 43' ' ' HIS . 45.2 mt-10 -65.16 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 111.946 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -89.26 -23.19 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -167.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -96.8 -23.29 16.46 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.789 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -120.43 130.03 25.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.887 0.375 . . . . 0.0 111.033 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.32 143.56 99.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 111.382 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 m -47.69 -38.65 15.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.5 ' HG2' ' H ' ' B' ' 53' ' ' SER . 1.5 pm0 -66.75 -52.81 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 111.157 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.5 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 36.5 m -70.93 -26.65 63.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.113 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.824 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 39.9 ttm180 -53.66 -48.48 69.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.404 ' HA ' HG11 ' A' ' 69' ' ' VAL . 7.8 tt0 -77.53 -29.58 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -178.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.86 79.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 53' ' ' SER . 92.4 t -63.88 -34.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.325 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.3 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.71 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 61.5 mm-40 -59.9 -47.6 85.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.83 -39.94 90.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.912 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.89 -44.69 96.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.448 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.55 79.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.003 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 70.3 mmtt -64.51 -49.82 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.072 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.53 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.467 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.38 -44.85 93.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.712 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.63 -42.32 98.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.67 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 7.3 p -65.55 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.38 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -75.78 -47.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 110.739 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' B' ' 74' ' ' GLU . 41.2 tttm -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.714 -171.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.5 p -66.82 -22.04 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.75 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.99 -11.98 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 110.065 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -100.91 -45.96 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 70' ' ' LYS . 73.8 mm-40 -53.97 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.725 0.641 . . . . 0.0 112.046 -176.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 67.09 -56.58 0.43 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 111.748 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 56.15 -52.85 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.986 1.715 . . . . 0.0 114.666 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -82.37 25.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 118.586 0.63 . . . . 0.0 110.996 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 14.89 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.962 178.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -106.21 82.67 1.78 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.154 -173.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.43 -175.29 0.2 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.178 0.591 . . . . 0.0 111.328 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.4 mt -83.36 109.77 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -101.83 19.88 17.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.2 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p 56.37 -170.38 0.09 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.911 0.884 . . . . 0.0 111.465 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.33 -26.6 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.171 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.0 107.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.2 m -104.72 166.32 10.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.83 -173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -56.91 -56.32 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.098 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' O ' HD12 ' A' ' 15' ' ' LEU . 33.5 tt0 -65.24 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.331 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG23 HD11 ' B' ' 32' ' ' LEU . 60.9 t -63.22 -38.82 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.287 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.086 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -68.67 -33.79 74.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.616 0.246 . . . . 0.0 110.873 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 19' ' ' ILE . 8.9 mp -63.03 -51.84 65.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 36' ' ' ALA . 74.5 mt -57.43 -46.29 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.33 -36.94 83.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.347 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 22' ' ' VAL . 5.5 tp10 -67.23 -39.49 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.69 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -60.73 -42.48 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.612 0.72 . . . . 0.0 109.688 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.82 -35.57 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.793 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.5 t -64.94 -34.73 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.679 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.538 ' CG2' HG21 ' B' ' 22' ' ' VAL . 49.1 t -57.76 -54.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 0.0 109.853 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 37' ' ' LEU . 92.2 mt -56.07 -51.93 66.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.861 175.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.11 -31.39 72.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.1 -29.17 70.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.87 -1.19 38.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.209 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 35.0 tptt 55.85 42.93 28.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.178 -176.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -65.85 122.74 82.36 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.225 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.2 Cg_exo -65.27 170.58 10.49 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.666 2.244 . . . . 0.0 111.518 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -54.04 -44.65 71.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.326 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.85 -47.11 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.549 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.83 -37.42 79.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.403 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 m -63.75 -54.25 38.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.804 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.15 -35.51 79.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.091 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.5 ttm -63.34 -53.96 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.36 79.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 23' ' ' LEU . 3.9 mm? -61.64 -44.95 96.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.02 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -45.67 95.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.411 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.9 OUTLIER -66.83 -36.14 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.158 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.0 t -62.78 -49.34 75.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 37' ' ' LEU . 93.3 t -56.89 -42.33 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 110.623 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -65.78 -39.4 90.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.685 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.71 -24.11 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD13 ' HG ' ' B' ' 37' ' ' LEU . 95.4 mt -66.56 -32.8 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 0.0 109.921 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.44 -28.34 66.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.201 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.56 -5.76 51.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.292 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.783 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 25.8 ttt180 -87.04 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.197 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.783 ' HG2' ' HG2' ' A' ' 47' ' ' ARG . 32.7 mmmt -130.67 25.59 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -114.91 128.01 26.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.664 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -57.29 148.98 67.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.961 2.441 . . . . 0.0 112.037 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -53.58 -47.96 69.63 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' OE1' ' HB2' ' A' ' 50' ' ' PRO . 1.3 pm0 -72.04 -34.45 68.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.475 ' O ' HG22 ' A' ' 57' ' ' VAL . 9.7 t -72.65 -28.49 62.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.257 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 99.3 mtt180 -53.35 -43.23 67.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.04 0.447 . . . . 0.0 110.562 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.46 -33.69 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -79.08 -33.91 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.647 0.261 . . . . 0.0 111.214 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 53' ' ' SER . 98.6 t -66.47 -37.93 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.958 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 17.3 tt0 -62.71 -53.73 49.99 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.931 174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 77.0 mm-40 -56.67 -42.46 79.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.15 -39.61 82.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.323 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.08 75.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.85 -43.84 94.94 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.54 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.87 92.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.81 -50.42 72.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.287 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.77 92.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.489 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -65.04 -38.67 91.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.349 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.484 ' HG ' HG21 ' B' ' 42' ' ' THR . 22.3 t -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.469 . . . . 0.0 110.104 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.35 -48.38 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 53.4 tttm -66.5 -28.31 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.007 -176.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' A' ' 74' ' ' GLU . 10.1 t -67.61 -7.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.331 -178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -31.0 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.4 mt -94.54 -21.29 18.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 71' ' ' SER . 10.3 mm-40 -89.97 39.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.386 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -67.54 -51.03 55.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.144 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -114.55 103.19 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.574 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 57.13 81.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.258 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -137.9 -153.37 0.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.246 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -138.29 143.88 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.895 179.071 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtm . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.658 0.266 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.63 -52.05 1.71 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.93 0.395 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -102.77 169.04 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -138.7 -55.08 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.742 0.306 . . . . 0.0 111.161 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -134.34 168.15 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.906 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -84.48 -25.48 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.116 0.484 . . . . 0.0 109.851 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -125.41 153.86 42.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t -108.94 151.44 26.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -62.17 -40.32 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.198 0.523 . . . . 0.0 109.642 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.0 m -62.95 -33.84 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.718 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.99 -49.06 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 16' ' ' ILE . 43.5 t -69.33 -46.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.51 -45.79 91.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.835 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -68.59 -29.79 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.886 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.624 ' O ' HG13 ' B' ' 19' ' ' ILE . 57.5 tp -63.03 -50.39 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 12' ' ' VAL . 65.8 mt -58.5 -43.32 86.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.211 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 21' ' ' VAL . . . -59.45 -41.83 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.448 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 15' ' ' LEU . 27.7 mt -61.48 -40.16 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 109.839 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.15 -34.73 79.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.705 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.527 HG22 ' O ' ' B' ' 17' ' ' ALA . 85.3 t -62.85 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.232 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.538 HG21 ' CG2' ' A' ' 22' ' ' VAL . 86.1 t -60.07 -45.57 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.969 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.04 -42.67 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.674 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.09 -15.25 51.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' B' ' 21' ' ' VAL . 29.9 mmmt -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 0.0 110.12 175.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -98.65 -15.85 19.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.44 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.76 77.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.725 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.12 124.6 40.94 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.376 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.03 169.27 10.77 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.461 2.107 . . . . 0.0 111.338 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' A' ' 48' ' ' LYS . 19.9 m -51.03 -45.14 61.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' B' ' 35' ' ' MET . 10.5 m-20 -58.18 -53.7 55.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 12' ' ' VAL . 32.3 tp -68.33 -32.57 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.509 -176.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -46.78 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.141 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 30' ' ' THR . 95.7 mt -61.93 -35.99 80.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.62 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' B' ' 31' ' ' ASP . 87.6 mtp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -69.54 -57.72 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.57 ' HG ' HD13 ' A' ' 44' ' ' LEU . 4.5 mm? -52.2 -43.63 64.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.138 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.21 91.91 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.51 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.28 -33.57 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.505 0.193 . . . . 0.0 110.782 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.516 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 83.9 m -61.6 -52.71 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.414 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.41 -44.7 89.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.484 HG21 ' HG ' ' A' ' 68' ' ' SER . 21.3 m -61.52 -46.57 89.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.908 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -69.08 -27.82 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 87.6 mt -65.34 -49.87 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.468 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 83.5 mt -63.17 -37.51 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.704 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.38 -45.71 86.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.459 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -88.35 -42.82 11.95 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.544 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -88.65 -19.05 26.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 39.2 t -119.39 134.85 23.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.714 0.292 . . . . 0.0 111.324 -173.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.628 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 51.9 Cg_exo -57.06 153.07 40.61 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.427 176.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 27.3 t -48.61 -56.87 7.25 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.07 -39.72 93.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.578 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.413 ' HB2' HG11 ' B' ' 49' ' ' VAL . 5.5 m -70.11 -29.32 66.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.066 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.6 mtt180 -53.72 -50.36 66.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 177.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.58 -35.62 79.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.308 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.96 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 0.0 110.645 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.94 -40.12 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.31 89.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.692 0.282 . . . . 0.0 110.921 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.588 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 9.1 mm-40 -55.6 -56.02 25.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.032 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.45 -42.76 99.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.286 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.15 -47.28 85.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.61 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 42.8 mttm -70.78 -40.87 72.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.264 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.22 86.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.445 ' O ' HG21 ' B' ' 69' ' ' VAL . 17.8 tp -58.79 -55.2 38.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.123 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.88 -44.18 97.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.054 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -62.8 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 65' ' ' LEU . 72.1 t -61.46 -47.1 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 0.0 110.579 177.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.988 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.6 t -71.95 -11.88 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -86.79 -16.98 34.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.26 0.553 . . . . 0.0 110.001 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -100.89 -34.52 9.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.858 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.71 156.06 32.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.238 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -96.96 -25.91 15.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 17.4 t60 59.42 40.01 21.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.654 171.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -94.62 -1.25 53.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.841 0.829 . . . . 0.0 109.527 176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -117.3 134.81 54.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.097 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -74.94 -38.06 61.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.527 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.63 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.11 57.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.723 0.296 . . . . 0.0 110.339 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.473 HG13 ' H ' ' A' ' 4' ' ' GLN . 16.2 pt -88.64 -53.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.354 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.473 ' H ' HG13 ' A' ' 3' ' ' ILE . 11.3 pt20 175.82 139.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.472 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -102.76 4.76 38.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.215 0.531 . . . . 0.0 110.563 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -85.09 107.57 17.24 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.789 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -37.85 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.967 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.7 t 162.61 143.19 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -65.69 -45.48 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.255 0.55 . . . . 0.0 109.736 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 p -71.45 -30.49 66.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.365 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 5.8 tp-100 -58.67 -47.34 84.81 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.614 HG23 HD13 ' B' ' 32' ' ' LEU . 35.2 t -68.72 -45.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.26 -55.28 36.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.688 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.6 p -62.44 -33.99 75.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 110.777 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 19' ' ' ILE . 57.8 tp -59.96 -56.4 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.206 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' HA ' HD11 ' A' ' 19' ' ' ILE . 75.6 mt -62.12 -38.3 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.684 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -58.28 -47.27 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.223 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.53 -37.49 87.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 110.883 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.785 HG23 HG21 ' B' ' 19' ' ' ILE . 50.4 mt -59.2 -46.24 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.106 0.479 . . . . 0.0 110.083 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.86 -42.66 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.601 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 56.5 t -63.11 -38.21 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' B' ' 22' ' ' VAL . 55.1 t -66.1 -45.2 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.538 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.75 HD11 HD21 ' A' ' 37' ' ' LEU . 94.8 mt -49.05 -53.31 20.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.648 171.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 11.4 pt-20 -76.67 -22.27 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 59.7 tttm -72.94 -28.65 62.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.019 0.438 . . . . 0.0 110.024 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.63 -2.44 44.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 59.02 70.67 0.63 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.738 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 120.05 65.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.05 178.23 2.02 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.67 2.247 . . . . 0.0 111.32 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -63.16 -38.66 92.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.118 0.485 . . . . 0.0 110.233 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.88 -48.88 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.574 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -75.71 -38.5 58.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.87 -172.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -64.5 -48.07 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.547 0.213 . . . . 0.0 110.987 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.75 -43.64 94.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.117 0.484 . . . . 0.0 110.442 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 ttm -66.44 -43.89 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.339 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.81 22.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.018 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 23' ' ' LEU . 4.6 mm? -55.9 -43.98 77.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.55 -46.5 81.13 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.948 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.76 -30.19 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.16 -24.05 61.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.948 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -72.87 -50.42 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 177.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 p -66.47 -31.44 72.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.231 0.539 . . . . 0.0 110.16 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -54.0 -32.11 53.11 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.26 174.432 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 32.0 mt -87.11 -38.72 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.018 0.437 . . . . 0.0 110.538 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.621 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 72.8 mt -60.4 -46.24 90.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.701 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 29.4 mt-10 -87.25 2.29 50.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.996 -177.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -94.24 -51.56 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.619 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -114.34 -28.66 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -89.56 127.85 53.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.663 0.268 . . . . 0.0 111.311 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.52 149.0 92.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.503 2.135 . . . . 0.0 111.404 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -53.6 -36.73 62.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.7 -52.09 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.776 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.455 ' O ' HG22 ' A' ' 57' ' ' VAL . 15.3 m -77.65 -20.54 53.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.733 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.621 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 37.4 ttm180 -56.25 -38.88 71.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.33 -37.16 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.731 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.42 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' SER . 99.5 t -61.4 -39.61 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 178.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.26 93.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.917 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.08 -44.25 97.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.774 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.18 -31.84 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.696 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.93 -44.23 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.5 88.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.735 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -61.6 -40.7 95.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.483 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.53 94.64 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.387 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 HD23 ' OG1' ' B' ' 42' ' ' THR . 4.7 mt -65.14 -46.93 78.93 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.94 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.206 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.22 -44.19 97.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.551 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.657 ' HB3' HG21 ' B' ' 42' ' ' THR . 23.1 t -70.54 -47.71 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' B' ' 55' ' ' GLN . 78.6 t -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.42 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.46 -40.0 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.725 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 m -68.56 -23.36 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.205 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.29 -32.08 38.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' B' ' 54' ' ' ARG . 9.8 mp -98.65 -46.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.14 51.15 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -90.93 -2.23 57.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -111.3 104.17 12.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.897 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -138.05 -68.88 0.45 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 170.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.6 t60 66.67 -78.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.142 168.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -154.34 130.53 10.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.862 0.363 . . . . 0.0 110.452 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.809 176.223 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mmm . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.147 0.022 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.34 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.488 0.715 . . . . 0.0 111.662 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' B' ' 5' ' ' SER . 50.5 mm -91.52 113.97 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.475 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 70.44 -9.75 0.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.858 0.724 . . . . 0.0 111.674 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 3' ' ' ILE . 20.2 m 55.9 68.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.245 -176.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.99 -46.81 88.24 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.01 108.33 4.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.945 169.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -75.55 163.74 27.05 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.176 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -62.92 -25.55 68.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -35.67 81.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.001 0.429 . . . . 0.0 110.311 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -70.97 -42.19 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.683 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 16' ' ' ILE . 40.0 t -60.67 -49.42 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.959 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.36 -39.11 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -57.88 -42.66 85.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.817 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.712 ' O ' HG12 ' B' ' 19' ' ' ILE . 9.4 mp -73.63 -41.12 63.19 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.3 mt -53.58 -46.29 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 110.427 177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.485 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -66.15 -35.38 80.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.256 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.83 -44.64 63.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.858 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.785 HG21 HG23 ' A' ' 19' ' ' ILE . 7.2 mm -63.99 -34.32 67.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.492 HD12 ' HE2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -56.18 -49.29 74.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.463 176.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 93.0 t -56.01 -47.7 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.497 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.543 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.5 t -51.17 -60.52 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 O-C-N 123.38 0.425 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' A' ' 15' ' ' LEU . 92.2 mt -51.84 -50.81 60.15 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.234 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -86.74 -0.64 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -170.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 47.2 mtmt -69.57 -43.82 72.1 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 167.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.608 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' HZ1' ' B' ' 27' ' ' LYS . 8.3 mtmp? 65.72 41.23 4.03 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.135 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 134.5 95.9 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.04 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.2 169.12 12.73 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.585 2.19 . . . . 0.0 111.457 177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -56.68 -38.61 72.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -54.71 43.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.345 0.593 . . . . 0.0 110.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.614 HD13 HG23 ' A' ' 12' ' ' VAL . 39.6 tp -68.32 -31.15 70.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.078 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' HD22 ' B' ' 37' ' ' LEU . 49.0 m -61.0 -49.46 77.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.537 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.05 -38.39 88.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.451 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -60.93 -47.59 85.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.713 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.41 76.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.518 HD21 HD12 ' B' ' 23' ' ' LEU . 4.2 mm? -58.74 -48.95 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.93 -49.57 70.31 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.754 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -71.19 -32.34 68.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.768 -0.254 . . . . 0.0 111.201 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.47 -51.62 54.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.692 0.282 . . . . 0.0 110.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.548 HG22 ' HB3' ' A' ' 37' ' ' LEU . 87.8 t -59.75 -44.09 93.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.042 0.449 . . . . 0.0 111.02 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 68' ' ' SER . 6.2 m -73.66 -21.16 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.733 -176.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -74.31 -28.93 61.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.34 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.78 -34.04 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.621 . . . . 0.0 109.433 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.477 HD22 HG22 ' B' ' 49' ' ' VAL . 87.8 mt -63.3 -32.74 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.736 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.22 -61.27 2.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -87.36 -31.02 20.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 19.7 tptm -103.54 -39.96 6.52 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.819 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.477 HG22 HD22 ' B' ' 45' ' ' LEU . 91.2 t -85.09 134.52 40.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.94 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 81.5 Cg_exo -49.15 141.96 22.11 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.142 2.562 . . . . 0.0 112.642 176.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -49.92 -52.09 35.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.598 -174.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.61 -35.92 75.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 0.0 111.116 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -70.71 -21.72 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.965 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.574 ' HD2' HD12 ' A' ' 73' ' ' LEU . 96.4 mtt180 -48.43 -45.34 36.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.44 ' HG3' HD21 ' A' ' 73' ' ' LEU . 52.2 mt-30 -59.29 -52.87 63.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 111.459 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.91 -32.42 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.08 -46.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.007 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.025 0.441 . . . . 0.0 110.373 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.678 ' HG2' ' HZ1' ' B' ' 63' ' ' LYS . 33.4 tt0 -63.1 -40.51 97.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.34 -38.93 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 110.429 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.74 -43.46 97.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.961 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.19 82.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.678 ' HZ1' ' HG2' ' B' ' 59' ' ' GLU . 58.1 mttp -62.64 -47.81 82.09 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.25 90.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.082 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -50.41 69.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.145 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.77 79.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.711 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.97 -41.2 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.816 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.7 m -64.91 -36.22 83.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.74 -43.97 76.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.51 0.672 . . . . 0.0 110.277 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -73.4 -16.43 61.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.736 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.8 -12.96 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.743 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -73.91 -29.17 61.91 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.12 -49.5 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.166 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.58 128.81 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.816 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -102.82 -23.14 13.79 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.207 -177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -158.0 169.49 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -116.48 87.04 2.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.64 0.733 . . . . 0.0 109.96 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 m170 61.36 -97.26 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.128 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -146.86 92.61 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.588 0.232 . . . . 0.0 111.005 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.666 176.243 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -60.6 -30.81 70.06 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.42 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -63.51 -43.26 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.36 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.34 -51.41 67.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.156 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 8' ' ' SER . 28.0 t -59.67 -50.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.8 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.99 -39.12 91.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.781 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -69.38 -34.06 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.836 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.3 -45.07 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.4 mt -61.9 -44.42 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -75.16 -40.64 59.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.763 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 pt -71.09 -26.09 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.283 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 171.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.6 t -60.82 -38.52 79.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.091 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' B' ' 22' ' ' VAL . 97.4 t -61.21 -48.02 90.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 37' ' ' LEU . 98.8 mt -58.45 -49.37 77.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.396 176.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' LYS . 38.0 tt0 -71.01 -21.83 62.23 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.422 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -53.69 -35.34 61.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.339 0.59 . . . . 0.0 110.33 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 4.6 p80 -115.98 6.77 14.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.064 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 24' ' ' GLU . 14.3 ptmm? 35.42 49.63 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.489 1.118 . . . . 0.0 112.307 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.446 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.37 159.95 47.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 111.503 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.08 -46.6 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.726 -178.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -53.27 -50.68 64.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 44.5 tp -71.33 -34.65 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.862 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -65.86 -43.33 88.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.587 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.2 mt -60.72 -37.18 80.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.85 0.357 . . . . 0.0 110.223 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.54 -50.76 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.29 72.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -62.71 -43.62 98.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.3 -44.29 96.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -69.1 -30.43 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.776 -0.249 . . . . 0.0 110.789 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 50.2 t -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.648 0.261 . . . . 0.0 110.732 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.1 t -64.72 -52.12 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.937 175.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -63.33 -31.94 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.231 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.514 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -54.51 -42.35 70.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.031 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 25.6 mt -73.75 -32.89 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.675 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 97.2 mt -64.7 -51.9 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.323 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -71.04 -12.19 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.82 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -99.63 -59.9 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.352 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -95.1 -38.99 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -172.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 19.5 t -91.25 118.53 68.54 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.927 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -59.26 154.0 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 111.606 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 m -54.08 -40.57 67.33 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -37.77 77.82 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.585 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 m -80.57 -25.18 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.846 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.653 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 34.2 ttm180 -57.63 -35.58 70.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.131 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.1 -49.74 47.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.65 92.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.467 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 60' ' ' GLN . 88.0 t -63.45 -39.59 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.81 -42.15 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 13.1 pt20 -71.87 -33.57 68.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.536 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.32 71.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.16 -40.03 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.62 64.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.42 -47.73 84.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.75 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.856 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -79.27 -18.17 53.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.0 m -69.85 -41.05 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' B' ' 54' ' ' ARG . 61.8 t -69.49 -38.32 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.893 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.619 -179.274 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 34.3 t . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.94 -49.75 72.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -65.5 -32.55 74.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.514 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 56.8 tp60 -61.54 -56.3 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.264 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 48.0 t -61.05 -43.85 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.03 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.915 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.3 m -64.95 -35.32 80.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 26' ' ' HIS . 6.7 mp -61.41 -55.41 31.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -56.51 -48.11 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.152 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.614 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.99 -44.82 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.726 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.31 94.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.362 . . . . 0.0 110.759 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 15' ' ' LEU . 8.5 mt -67.65 -36.25 75.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.212 0.53 . . . . 0.0 110.04 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 38.6 mt -65.52 -37.83 87.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.133 177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.9 t -62.67 -35.97 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.613 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 22' ' ' VAL . 61.0 t -61.19 -46.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.257 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.23 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.03 -52.17 45.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' B' ' 21' ' ' VAL . 89.1 mttt -53.15 -48.45 67.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.007 -177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.68 -16.91 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.984 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? 53.83 73.33 0.39 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.827 0.704 . . . . 0.0 109.934 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.75 131.05 53.18 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.127 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.96 159.37 46.61 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.453 2.102 . . . . 0.0 111.037 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m -54.78 -40.99 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.02 -45.51 92.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.01 0.434 . . . . 0.0 110.746 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 12' ' ' VAL . 36.8 tp -69.08 -42.47 76.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.98 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' HD23 ' B' ' 37' ' ' LEU . 13.2 p -63.86 -42.58 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.163 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.82 -38.88 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.1 ttm -63.77 -46.78 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.957 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 41' ' ' VAL . 3.3 mm? -60.01 -49.12 78.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.29 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -47.31 90.4 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.716 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.51 -32.73 72.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.833 -0.216 . . . . 0.0 111.042 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 41.9 t -65.38 -47.41 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.542 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 94.3 t -60.0 -42.81 90.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.472 . . . . 0.0 110.433 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -68.11 -38.07 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.057 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.14 -27.5 68.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 92.1 mt -68.46 -40.09 81.17 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.312 0.577 . . . . 0.0 109.654 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.573 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.5 mt -65.84 -40.31 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.522 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.65 -10.97 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.714 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -99.42 -67.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 8.3 mmpt? -109.81 4.62 21.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -168.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.71 105.52 32.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.174 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.66 149.32 59.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 111.25 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -54.41 -33.47 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.31 0.244 . . . . 0.0 111.547 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.78 -48.86 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.779 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.5 m -85.44 -29.02 24.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.484 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 30.3 ttm180 -56.31 -37.38 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.36 -176.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.58 -44.55 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.747 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.6 -36.86 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' SER . 90.5 t -64.16 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 0.0 110.389 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.91 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.417 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.6 tm-20 -69.02 -39.84 79.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -60.21 -42.27 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.277 0.561 . . . . 0.0 109.778 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.68 -45.08 88.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.211 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.0 90.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 62.9 mttp -57.91 -59.8 4.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.93 81.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.84 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -175.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.37 92.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.641 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.06 -30.18 70.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.523 0.202 . . . . 0.0 111.085 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -66.25 -41.0 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.168 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.53 -49.64 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.088 0.47 . . . . 0.0 110.543 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -25.38 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.621 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.054 179.246 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 47.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.25 -45.28 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.706 0.289 . . . . 0.0 110.494 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -62.81 -44.75 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.77 -58.28 8.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.2 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 8' ' ' SER . 61.6 t -61.05 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.74 -44.07 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -64.08 -37.92 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.734 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 19' ' ' ILE . 7.2 mp -63.37 -56.39 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.556 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.7 mt -51.59 -47.29 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 O-C-N 123.487 0.492 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.02 -50.18 74.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.218 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.41 -36.21 83.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.442 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.748 HG12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -59.47 -46.35 92.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.588 0.709 . . . . 0.0 109.43 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.95 -35.48 76.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.081 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.3 t -60.89 -37.74 77.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.328 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' B' ' 22' ' ' VAL . 79.5 t -61.61 -51.32 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.764 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -52.34 -51.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.642 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -72.57 -24.36 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 ttmm -64.84 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 109.902 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.9 -5.51 59.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.885 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm 58.82 44.15 17.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 124.65 91.04 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.197 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 162.66 13.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.469 2.112 . . . . 0.0 111.143 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.432 ' OG1' ' HE3' ' B' ' 48' ' ' LYS . 8.8 m -55.34 -39.68 70.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.132 0.492 . . . . 0.0 110.477 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 35' ' ' MET . 24.4 t70 -55.41 -49.52 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.678 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD11 HG22 ' B' ' 12' ' ' VAL . 59.2 tp -74.54 -40.99 61.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.741 -176.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 8.3 p -64.83 -39.4 93.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.881 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.583 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 65.1 mtt -59.8 -55.08 38.75 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.272 173.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.24 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.461 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.515 HD21 HD11 ' A' ' 23' ' ' LEU . 54.5 mt -66.74 -41.42 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.583 0.23 . . . . 0.0 110.741 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' CZ ' ' B' ' 61' ' ' PHE . . . -58.44 -48.41 84.2 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.21 -36.79 83.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 53.0 t -59.35 -55.91 28.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.54 -43.38 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 m -71.25 -29.37 65.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.933 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.04 -40.52 91.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.011 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 95.3 mt -61.33 -37.58 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 109.942 176.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 42' ' ' THR . 37.2 mt -60.46 -55.52 32.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.762 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 2.8 pp20? -77.34 -5.39 49.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.851 0.358 . . . . 0.0 111.838 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -90.47 -52.82 4.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.16 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 12.2 tmtt? -98.16 -38.29 9.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.329 -173.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -94.93 129.03 37.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 111.443 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.22 150.75 64.25 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.143 2.562 . . . . 0.0 111.904 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.3 m -47.9 -43.16 28.58 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -60.36 -59.15 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 110.885 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -75.08 -15.42 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.865 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.657 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 39.6 ttm180 -57.28 -40.15 77.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.133 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 27.1 mt-30 -71.91 -45.77 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -55.42 -50.46 69.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.446 -178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.83 -39.31 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . . . -58.93 -46.18 88.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 69.6 mt-10 -61.21 -50.48 72.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.225 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 78.3 mt-30 -55.39 -47.37 75.97 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.05 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.38 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.363 . . . . 0.0 111.177 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.15 -44.36 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.46 94.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.22 -54.94 41.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.103 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.219 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.95 -37.7 88.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 m -67.41 -35.8 80.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.6 -40.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.697 -179.211 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.9 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -58.49 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 109.907 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.9 m -74.95 -39.82 61.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.214 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.41 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 22.1 tp60 -60.26 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.298 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.489 ' O ' HG13 ' B' ' 16' ' ' ILE . 48.9 t -67.01 -46.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.654 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.82 -42.28 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.752 0.31 . . . . 0.0 110.98 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.1 t -65.16 -34.9 79.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.384 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.558 ' O ' HG13 ' B' ' 19' ' ' ILE . 39.1 tp -66.48 -42.26 87.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 12' ' ' VAL . 73.2 mt -58.54 -45.79 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.07 0.462 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.598 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -57.84 -40.12 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.067 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 14' ' ' SER . 12.6 mm-40 -55.45 -48.05 75.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.254 0.549 . . . . 0.0 110.643 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 15' ' ' LEU . 5.3 mt -66.5 -37.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.604 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.41 -32.78 74.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.3 t -60.63 -47.06 94.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 22' ' ' VAL . 61.4 t -59.11 -58.01 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.8 mt -46.16 -58.32 3.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.07 -17.42 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -76.69 -20.6 56.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.23 0.538 . . . . 0.0 110.023 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -100.59 -5.77 26.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.931 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm 61.34 38.25 16.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.974 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.69 118.16 54.81 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.684 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.52 163.96 11.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.62 2.213 . . . . 0.0 111.751 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.488 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 20.6 m -56.66 -44.34 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.204 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.133 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -69.24 -41.33 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 110.29 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -61.96 -42.1 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.037 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.5 mt -59.77 -45.2 92.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.8 ttp -68.37 -40.24 81.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.025 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.515 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.6 mm? -54.75 -41.69 70.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.53 -42.73 94.15 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.803 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 29.1 m-80 -74.25 -27.09 60.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 82.6 m -66.37 -48.16 71.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.78 0.324 . . . . 0.0 110.374 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.8 t -61.26 -46.67 96.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.647 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -39.67 84.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.739 0.304 . . . . 0.0 111.467 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 42.3 t60 -57.86 -36.38 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.1 mt -81.98 -44.26 16.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.66 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 10.3 tt -60.53 -35.77 76.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.719 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.18 -46.75 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -90.61 -22.49 21.2 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.432 ' HE3' ' OG1' ' A' ' 30' ' ' THR . 28.9 mtpp -105.38 -12.26 16.1 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.202 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.66 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t -119.11 130.76 24.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.21 142.73 27.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.175 2.584 . . . . 0.0 112.611 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.0 t -50.48 -44.31 55.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.879 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -63.35 -25.62 68.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -101.58 -3.9 27.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.514 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -61.74 -46.94 87.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.577 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -67.7 -31.12 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -51.06 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.252 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.77 -36.66 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.546 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.56 92.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -65.66 -43.29 89.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.958 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.21 94.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.712 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.424 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 47.5 t80 -61.71 -50.65 71.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.07 97.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.273 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.4 ' N ' ' HE3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -65.23 -34.67 78.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 178.612 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.58 89.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.44 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.5 mt -65.46 -47.34 76.47 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.24 90.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.056 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 tm0? -62.91 -34.14 76.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -75.48 -23.22 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -95.32 -50.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.75 -21.07 61.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 120.971 0.415 . . . . 0.0 111.013 -179.646 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.78 -40.88 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -65.03 -36.92 85.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.525 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.27 -53.47 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.457 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 16' ' ' ILE . 47.6 t -59.14 -48.3 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.713 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.63 -36.33 82.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -56.77 -47.97 78.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.767 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 19' ' ' ILE . 10.4 mp -60.27 -51.01 71.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.341 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.1 mt -54.35 -46.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 O-C-N 123.5 0.5 . . . . 0.0 110.979 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.84 -42.29 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.278 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.27 -36.05 71.59 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.643 0.259 . . . . 0.0 111.012 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' B' ' 19' ' ' ILE . 10.1 mm -59.26 -41.21 83.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 23' ' ' LEU . 96.0 mt -67.25 -32.36 73.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.167 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.8 t -58.3 -44.71 88.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.663 0.268 . . . . 0.0 110.445 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.51 -50.09 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.531 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -53.23 -48.75 67.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.509 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -36.16 80.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.169 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 20.1 ttmm -72.36 -28.42 63.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.805 0.336 . . . . 0.0 110.682 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.44 -22.22 44.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? 61.54 47.59 6.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.66 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -76.18 130.08 78.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.801 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.8 Cg_exo -64.84 169.22 12.01 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.852 2.368 . . . . 0.0 111.212 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.446 HG23 ' HD3' ' B' ' 48' ' ' LYS . 63.6 m -52.3 -43.45 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.057 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.9 -59.82 4.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.923 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 HG22 ' B' ' 12' ' ' VAL . 35.4 tp -71.69 -31.95 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.164 -173.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' A' ' 37' ' ' LEU . 22.7 t -62.19 -47.41 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.21 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.48 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.5 ttm -66.71 -42.22 86.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.68 92.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.56 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -61.93 -50.93 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.38 -47.16 77.33 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.994 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.8 -41.42 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.713 0.292 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.4 -37.25 86.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.8 t -59.91 -48.03 89.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.598 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -34.54 67.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 0.0 111.609 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -66.62 -30.86 71.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.52 -39.05 74.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.298 174.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 96.1 mt -59.95 -48.86 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.17 -12.12 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.92 -65.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.09 -9.45 55.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.917 -170.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 48.5 t -112.45 133.24 21.85 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.984 -175.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.3 Cg_exo -55.41 150.14 43.45 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.089 2.526 . . . . 0.0 112.232 175.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -51.2 -56.99 9.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.09 -34.51 76.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.462 . . . . 0.0 110.971 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 m -71.32 -27.38 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 95.1 mtt180 -56.92 -33.23 66.74 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.688 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -71.02 -53.01 16.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.986 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -73.56 -37.85 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.974 -174.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.21 -41.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.56 85.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 0.0 110.26 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.71 -52.21 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.633 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 37.6 mm-40 -68.68 -29.91 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.437 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -64.46 -46.56 82.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.179 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.73 98.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.82 -42.21 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.919 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.36 85.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.21 -50.86 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.945 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.12 77.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.68 -38.42 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -63.76 -37.68 88.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.46 -38.92 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.352 0.596 . . . . 0.0 110.358 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.156 178.758 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 12' ' ' VAL . 39.2 m . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.692 0.282 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.1 -49.67 76.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.201 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.0 m -62.28 -39.11 91.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.424 ' HG3' HD21 ' A' ' 32' ' ' LEU . 6.2 tp-100 -62.46 -50.98 69.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 32' ' ' LEU . 58.7 t -59.62 -50.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.933 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.98 -32.31 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.888 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 59.5 m -66.06 -41.0 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.519 ' O ' HG13 ' B' ' 19' ' ' ILE . 4.8 mt -58.86 -58.1 10.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.921 172.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 80.1 mt -46.16 -49.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.532 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.73 -50.64 72.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.077 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.89 -31.98 63.37 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.572 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 19' ' ' ILE . 78.7 mt -65.4 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.058 0.456 . . . . 0.0 110.047 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.2 mt -66.6 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.5 t -61.01 -38.34 79.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.6 -52.01 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.58 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.768 HD11 HD21 ' B' ' 37' ' ' LEU . 95.8 mt -49.98 -54.43 20.06 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.782 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -79.63 -4.81 53.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.46 -35.96 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.75 -16.23 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.921 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 tttm 60.62 47.79 7.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 108.971 -173.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -65.14 133.65 95.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.317 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 32.2 Cg_exo -58.82 163.94 10.5 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.867 2.378 . . . . 0.0 111.448 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 m -54.88 -43.55 73.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -73.19 -31.99 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.32 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 tp -74.95 -33.58 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.257 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m -61.22 -47.2 87.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.197 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.75 -35.7 79.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttm -67.31 -45.77 75.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.908 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.68 64.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.624 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.768 HD21 HD11 ' B' ' 23' ' ' LEU . 4.5 mm? -58.54 -52.1 67.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.321 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.105 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.12 -34.28 78.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.57 0.224 . . . . 0.0 110.569 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.56 -45.78 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.526 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 37' ' ' LEU . 96.4 t -57.1 -46.81 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.122 177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -68.04 -35.01 77.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.801 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -64.16 -35.75 81.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.425 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.43 -42.34 44.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.097 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.66 -49.57 77.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.701 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.49 -33.12 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -45.53 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.108 -0.37 . . . . 0.0 111.461 -173.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 30' ' ' THR . 65.2 mttm -86.03 -33.37 21.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.817 -172.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 57' ' ' VAL . 42.0 t -96.13 130.59 30.78 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.987 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 52.0 Cg_exo -55.46 145.8 66.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.796 2.331 . . . . 0.0 111.731 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -50.98 -39.92 56.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.051 0.453 . . . . 0.0 111.359 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.56 -25.52 64.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.965 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -101.23 -3.64 28.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.64 0.257 . . . . 0.0 111.304 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.2 mtt180 -66.3 -32.94 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.019 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -65.53 -42.41 92.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.304 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -52.84 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.374 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 49' ' ' VAL . 33.5 m -68.29 -26.76 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.61 92.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -71.46 -37.73 71.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.74 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 97.1 mt-30 -70.3 -42.16 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.111 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.47 -47.22 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.08 85.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.304 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' B' ' 60' ' ' GLN . 16.9 tppt? -56.37 -56.48 20.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.413 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.057 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.1 -50.77 70.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.48 87.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -70.38 -22.3 62.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.741 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 64.3 m -74.12 -43.59 56.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 0.0 110.2 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 -43.36 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.4 . . . . 0.0 110.683 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -75.23 -16.07 60.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.267 179.46 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 12' ' ' VAL . 30.7 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.57 -34.58 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.325 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -61.52 -41.24 97.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.326 0.584 . . . . 0.0 109.92 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.7 tt0 -68.55 -48.96 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.634 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 8' ' ' SER . 47.8 t -57.11 -49.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.613 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.55 -40.78 92.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.7 t -58.2 -42.37 86.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.653 ' HG ' ' ND1' ' B' ' 26' ' ' HIS . 10.5 mp -65.0 -49.47 70.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.196 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.2 mt -59.6 -45.27 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.526 0.516 . . . . 0.0 110.715 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.88 -45.26 90.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.38 -27.81 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.047 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.4 mt -68.33 -38.46 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 173.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 17' ' ' ALA . 94.9 t -58.82 -40.16 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.571 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' B' ' 22' ' ' VAL . 62.1 t -61.82 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.635 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 37' ' ' LEU . 95.8 mt -53.29 -51.02 63.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.293 174.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -36.66 84.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.946 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.82 -26.69 68.87 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -104.98 3.26 30.47 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.163 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 57.18 36.68 27.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.673 0.608 . . . . 0.0 110.846 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -62.29 116.32 21.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.821 -175.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 37.7 Cg_endo -67.4 158.71 55.78 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.415 2.077 . . . . 0.0 111.08 176.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.1 m -48.12 -48.16 34.14 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.308 0.38 . . . . 0.0 111.909 -176.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.81 -50.16 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.347 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.7 -34.7 69.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -65.12 -42.04 94.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.7 mt -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.249 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 46.3 ttm -63.2 -47.38 82.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.337 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.96 -59.32 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.625 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.1 mm? -55.04 -51.09 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.945 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.09 -38.79 96.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.544 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' MET . 16.9 t-20 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.26 -43.56 97.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.441 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.6 t -57.62 -47.52 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.447 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -70.11 -32.8 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.403 0.62 . . . . 0.0 110.416 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -68.52 -37.14 79.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.247 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.67 -32.33 70.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.018 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 93.9 mt -60.42 -38.08 82.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.992 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.09 -44.82 68.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.874 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.751 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 mmp_? -100.13 -8.89 23.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -168.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -131.0 -8.18 3.9 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.206 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.6 t -123.97 135.39 26.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.06 142.65 99.58 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.338 2.026 . . . . 0.0 111.541 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -40.08 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -26.97 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -93.61 -21.52 19.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.803 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.7 mtt180 -51.13 -48.34 61.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.12 -36.82 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.38 -42.77 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.51 -37.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.124 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.88 95.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.455 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.27 -44.59 78.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 97.6 mt-30 -61.47 -39.95 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -63.97 -45.54 88.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.865 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -57.91 -43.94 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -57.86 -54.02 51.67 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.763 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.37 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.341 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.83 -57.09 10.95 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.98 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.753 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.54 -46.36 90.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.054 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.3 m -56.93 -37.6 71.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.2 t -75.13 -49.88 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.513 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -172.049 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 40.9 t . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -55.98 -39.01 71.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.697 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 14' ' ' SER . 20.1 m -61.02 -36.54 79.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -71.44 -47.62 54.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.161 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' SER . 93.3 t -53.46 -55.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.369 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' B' ' 16' ' ' ILE . 43.8 mt-10 -76.66 -18.64 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.727 -176.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 10' ' ' THR . 23.0 t -65.2 -45.53 84.41 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.759 ' O ' HG12 ' B' ' 19' ' ' ILE . 10.4 mp -59.98 -51.61 68.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.337 177.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 13' ' ' GLU . 76.4 mt -51.53 -48.73 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.573 0.546 . . . . 0.0 110.736 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.71 -47.3 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.077 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.3 mt-10 -63.36 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.759 HG12 ' O ' ' B' ' 15' ' ' LEU . 7.9 mm -60.51 -44.58 96.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.96 -37.92 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.086 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.2 t -57.26 -39.19 66.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' A' ' 22' ' ' VAL . 48.5 t -67.81 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.1 -30.92 71.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.743 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.66 -43.42 97.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 60.8 mttm -66.59 -19.93 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.653 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 33.3 m170 -88.49 -24.46 22.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.202 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 7.8 mtpm? 57.25 37.3 28.19 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.771 0.669 . . . . 0.0 110.199 -174.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.1 125.2 91.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.483 -176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.1 167.21 16.65 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.761 2.308 . . . . 0.0 111.976 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -53.18 -46.41 68.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -67.36 -37.88 83.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.669 0.271 . . . . 0.0 111.487 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.22 -40.14 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.5 p -66.48 -47.17 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.787 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.57 -37.27 83.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.934 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.8 ttm -67.15 -40.44 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HA ' ' ND2' ' B' ' 39' ' ' ASN . . . -71.43 -39.37 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.101 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 41' ' ' VAL . 49.9 mt -65.37 -39.65 92.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.07 -43.62 93.23 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.624 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.651 ' ND2' ' HA ' ' B' ' 36' ' ' ALA . 6.2 p30 -80.66 -24.89 38.63 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.033 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 39.1 t -70.36 -44.37 68.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.709 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.625 HG22 ' HB3' ' A' ' 37' ' ' LEU . 84.6 t -61.0 -44.85 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.314 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -67.88 -32.85 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.287 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 17.0 t60 -63.88 -28.56 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.533 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 66.1 mt -71.53 -42.68 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.204 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.89 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 97.1 mt -62.8 -45.46 92.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.852 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.46 -15.35 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.233 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -96.65 -52.74 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -120.93 7.65 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -170.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.53 123.8 26.36 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.562 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.23 140.53 93.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.617 2.212 . . . . 0.0 111.598 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -46.86 -42.14 16.87 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.1 -55.66 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.919 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 57' ' ' VAL . 12.9 m -71.57 -24.98 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.89 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.0 ttm180 -57.64 -44.76 85.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.604 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.21 -36.61 79.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.214 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.36 77.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 53' ' ' SER . 98.9 t -66.04 -45.76 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.194 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.5 81.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.92 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.439 ' OE1' ' HE3' ' B' ' 63' ' ' LYS . 5.8 tp10 -57.38 -56.04 27.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.1 0.476 . . . . 0.0 110.709 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.42 -44.21 88.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.343 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.78 -44.73 95.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.954 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.43 -44.3 95.91 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.136 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 59' ' ' GLU . 98.7 mttt -73.08 -37.82 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.3 99.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.517 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.36 -51.59 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.17 94.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.293 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 m -65.32 -44.87 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.54 -39.55 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -67.71 -52.21 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.365 -175.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -45.73 -47.1 15.38 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.597 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 m -50.28 -49.47 53.31 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.497 0.498 . . . . 0.0 111.748 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -70.8 -48.85 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.775 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.0 t -64.93 -49.99 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.467 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.81 -26.68 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.35 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 t -72.37 -35.21 68.43 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' O ' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -64.14 -54.35 35.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.798 176.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 12' ' ' VAL . 66.2 mt -54.68 -39.74 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.686 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.54 -49.46 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.203 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -72.07 -33.35 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.034 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 15' ' ' LEU . 58.4 mt -62.57 -38.6 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 109.817 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.12 -33.9 76.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.349 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.7 t -67.12 -32.82 59.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' B' ' 22' ' ' VAL . 56.5 t -67.87 -40.92 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.46 -53.14 61.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.88 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 27' ' ' LYS . 41.1 tt0 -65.33 -19.11 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.33 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.58 -36.19 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 110.071 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' HD22 ' B' ' 15' ' ' LEU . 7.0 p80 -120.19 18.6 12.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.134 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' GLU . 87.3 tttt 78.41 -53.21 0.49 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.574 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . . . 47.5 86.61 0.14 Allowed Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 123.982 0.802 . . . . 0.0 112.937 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.36 154.91 43.96 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.157 1.905 . . . . 0.0 111.101 174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.7 m -49.79 -43.13 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -52.96 -50.63 63.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 12' ' ' VAL . 52.9 tp -69.25 -42.98 74.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.739 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -63.48 -40.43 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.528 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 30' ' ' THR . 84.1 mt -62.38 -45.91 91.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.674 0.273 . . . . 0.0 110.679 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.28 -38.41 91.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.035 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.22 -52.95 22.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.356 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -59.56 -40.64 87.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.64 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.89 -39.48 88.5 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.43 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.05 -34.62 57.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.79 -0.241 . . . . 0.0 110.971 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.56 0.219 . . . . 0.0 111.088 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.1 t -61.29 -46.59 96.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 110.237 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -63.72 -39.96 95.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.278 0.561 . . . . 0.0 110.701 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.932 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.2 -39.29 75.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.83 0.347 . . . . 0.0 110.453 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 49' ' ' VAL . 96.1 mt -61.2 -41.55 97.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.59 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.31 -12.58 61.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.541 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.6 mmm180 -102.99 -67.28 0.89 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' ' OG1' ' B' ' 30' ' ' THR . 44.6 mtmt -106.61 16.53 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.06 -171.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD23 ' A' ' 45' ' ' LEU . 46.9 t -123.48 123.63 26.42 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -56.64 140.67 90.77 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.848 2.365 . . . . 0.0 111.593 177.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 m -55.43 -30.61 60.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.91 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.34 -26.42 61.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.946 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -104.55 -9.63 18.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.3 mtt180 -58.26 -43.11 87.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.883 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 mp0 -62.09 -43.74 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.605 -178.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.5 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.681 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.92 -42.67 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.498 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.32 94.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.451 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 56.4 mt-10 -62.67 -49.11 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -71.94 -30.81 65.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.142 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.71 -38.52 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 109.529 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.32 -37.35 68.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.064 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.314 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.29 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.866 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.4 mp -59.29 -47.78 84.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.25 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.303 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.69 -38.48 70.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' LEU . 61.3 t -63.7 -43.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.7 mttp . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.217 177.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -58.48 -39.39 79.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -61.78 -24.21 66.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -66.86 -48.26 69.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 16' ' ' ILE . 21.2 t -71.22 -45.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.17 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -55.53 -55.07 36.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.962 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -73.49 -21.7 60.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.192 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.544 ' O ' HG13 ' B' ' 19' ' ' ILE . 19.8 tp -68.23 -42.71 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.2 mt -54.27 -47.1 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -63.77 -37.01 85.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.347 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 7.8 tp10 -64.03 -46.55 83.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.252 0.548 . . . . 0.0 109.958 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 15' ' ' LEU . 17.5 mt -67.91 -33.54 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.335 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.2 mt -64.73 -39.09 93.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 17' ' ' ALA . 82.9 t -59.59 -39.66 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.33 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 22' ' ' VAL . 16.7 t -55.91 -56.49 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.445 177.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.09 -42.38 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.997 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.97 -46.52 90.38 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 29.2 mtpp -63.58 -16.23 60.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.908 -177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -108.71 -4.05 17.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.658 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 56.65 36.22 27.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.435 0.636 . . . . 0.0 110.148 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 123.03 76.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.837 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.0 158.04 31.45 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.898 2.398 . . . . 0.0 111.534 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 5.1 m -55.81 -47.47 77.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -59.34 -48.29 82.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.9 -43.52 98.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.0 m -62.97 -48.1 80.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.97 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.0 mt -61.7 -41.53 97.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.043 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.7 ttm -63.14 -44.09 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.198 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.0 93.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 33' ' ' SER . 60.5 mt -66.77 -40.95 88.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.58 90.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.025 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.58 -32.58 74.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.519 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.485 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.3 t -63.35 -53.69 48.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.516 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 37' ' ' LEU . 65.6 t -57.67 -44.37 85.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -61.38 -40.63 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.578 . . . . 0.0 110.562 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -74.29 -27.55 60.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.082 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 95.4 mt -67.45 -36.49 81.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.019 0.437 . . . . 0.0 109.915 175.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.694 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.466 ' HA ' ' NH2' ' B' ' 54' ' ' ARG . 42.2 mt-10 -67.09 -22.15 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.832 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' B' ' 47' ' ' ARG . 0.6 OUTLIER -85.48 -34.27 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -170.629 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -130.51 -30.61 1.87 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.949 -0.701 . . . . 0.0 112.477 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.6 123.37 65.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.524 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.605 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.49 148.47 80.76 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.704 2.269 . . . . 0.0 111.391 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -56.7 -38.34 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.887 0.375 . . . . 0.0 111.318 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.43 -43.06 99.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.879 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.458 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -76.95 -31.19 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.3 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.9 mtt180 -51.7 -37.51 51.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -57.33 -52.45 65.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.193 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.93 -31.18 59.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.207 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 53' ' ' SER . 96.1 t -64.3 -46.59 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.784 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.84 -48.15 80.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.63 -35.08 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.24 -49.61 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.136 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.82 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.628 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -61.31 -45.69 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.546 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.99 78.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.856 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -61.28 -48.42 81.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.79 78.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.538 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.3 -38.84 92.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.235 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -63.42 -47.4 82.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.37 -42.47 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.52 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.37 -36.78 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.823 179.528 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.237 0.395 0 CA-C-O 120.723 0.297 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.97 -54.86 33.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.642 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -57.73 -36.74 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.4 tt0 -63.27 -53.29 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.8 t -64.03 -43.35 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.082 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.62 -52.09 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.674 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 p -66.73 -30.8 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.367 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -68.54 -47.84 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.738 176.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.4 mt -58.27 -44.48 88.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.341 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.99 -44.25 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.262 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tp10 -60.71 -44.42 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 15' ' ' LEU . 17.5 mt -65.62 -36.53 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.31 -38.39 90.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.274 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' ALA . 95.3 t -64.04 -31.69 54.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.439 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' B' ' 22' ' ' VAL . 84.1 t -59.95 -55.65 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.63 0.252 . . . . 0.0 110.612 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.75 -51.66 66.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -44.17 84.73 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.092 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.71 -24.59 67.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.704 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -94.98 -2.44 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 tttp 63.47 31.07 15.17 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.66 . . . . 0.0 110.152 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.21 130.79 64.58 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.166 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.92 157.21 62.66 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.47 2.113 . . . . 0.0 111.457 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -54.23 -38.2 65.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.635 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.4 -44.4 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.707 HD11 HG22 ' B' ' 12' ' ' VAL . 40.1 tp -73.11 -31.16 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.228 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -63.33 -47.22 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.422 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.87 -39.79 90.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.381 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -62.58 -46.16 89.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.1 77.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.278 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.64 76.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -70.2 -35.24 73.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.406 0.146 . . . . 0.0 110.808 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 t -60.87 -52.31 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.6 t -59.38 -44.62 92.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.67 -32.53 71.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.744 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -69.62 -27.45 65.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.904 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.42 -36.57 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 90.2 mt -64.79 -31.91 73.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.651 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 7.3 pt-20 -87.04 -14.32 41.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 21.6 mmt180 -107.43 -62.51 1.41 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -84.9 -13.91 49.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.0 t -110.65 129.22 24.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.629 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.48 151.39 85.06 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.32 2.014 . . . . 0.0 111.299 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 m -53.47 -30.69 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.693 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -53.08 57.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.152 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -94.82 -11.74 28.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.699 0.285 . . . . 0.0 111.131 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 41.1 ttm180 -54.57 -42.2 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.485 -177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -78.14 -41.01 36.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.247 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.28 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.699 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.7 -38.83 77.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.476 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.43 73.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.221 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 26.5 mt-10 -67.84 -45.23 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.674 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.74 -39.46 91.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.91 -42.24 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.57 -47.12 87.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.312 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 54.5 mttm -62.25 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.65 97.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.93 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.66 -51.97 67.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.35 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.21 95.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.493 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.85 -30.57 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -67.11 -36.55 82.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.921 0.391 . . . . 0.0 110.24 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG12 ' NE2' ' B' ' 55' ' ' GLN . 15.8 t -75.06 -39.99 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.088 0.47 . . . . 0.0 110.327 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.642 -173.403 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -53.84 -45.75 71.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.643 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.3 m -59.79 -42.3 93.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.007 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -61.99 -48.94 78.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.808 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.707 HG22 HD11 ' A' ' 32' ' ' LEU . 45.7 t -64.47 -46.17 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.55 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.005 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 m -71.93 -35.57 69.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.661 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.623 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.5 tp -60.28 -53.33 58.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.148 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.42 -39.72 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.424 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.523 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.57 -46.9 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.473 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.6 tt0 -65.23 -39.5 92.83 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.532 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 15' ' ' LEU . 20.5 mt -60.03 -41.58 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.74 -43.09 94.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.108 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 78.0 t -59.12 -41.32 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' A' ' 22' ' ' VAL . 78.5 t -56.64 -51.77 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 111.211 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' B' ' 33' ' ' SER . 94.3 mt -57.7 -38.82 75.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.814 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.75 -28.33 63.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.141 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 91.8 mttt -54.16 -45.86 72.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.153 0.501 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -97.93 -4.34 36.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.809 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 51.51 43.32 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.704 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.6 136.18 92.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.515 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.75 161.34 15.34 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.416 2.077 . . . . 0.0 111.396 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -56.73 -35.73 68.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.53 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -61.31 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.967 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.74 -38.02 79.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.19 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 59.5 m -64.4 -45.58 87.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.006 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.32 -38.53 87.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.413 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttm -61.61 -42.6 99.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.86 70.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 41' ' ' VAL . 72.5 mt -61.96 -39.0 90.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.2 -52.64 50.25 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -67.3 -28.32 67.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.561 0.219 . . . . 0.0 110.488 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 51.8 t -64.4 -55.69 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.51 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.6 t -57.33 -44.82 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.426 HG23 HG22 ' A' ' 69' ' ' VAL . 4.1 m -66.65 -35.93 81.35 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.791 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -68.94 -32.2 71.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.3 mt -66.31 -44.16 84.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.006 0.431 . . . . 0.0 109.921 176.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.36 -44.09 95.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.564 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.483 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 6.3 mt-10 -74.93 0.39 15.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -107.48 -58.07 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.623 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.408 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -86.66 -44.28 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.184 0.516 . . . . 0.0 110.567 -173.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.75 133.99 51.23 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.695 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 50.3 Cg_exo -56.85 148.26 67.95 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.898 2.399 . . . . 0.0 112.364 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -45.14 -50.17 11.45 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -29.3 39.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 111.04 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -71.04 -31.42 67.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.431 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.6 mtt180 -53.56 -42.12 67.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.214 0.531 . . . . 0.0 110.762 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.617 ' NE2' HG12 ' A' ' 69' ' ' VAL . 42.7 mm-40 -63.51 -44.32 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.516 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.26 90.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.808 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 53' ' ' SER . 67.2 t -63.01 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.49 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.923 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.77 -50.27 74.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 109.785 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -66.86 -37.68 84.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.98 -47.95 78.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.475 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.11 -40.46 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.381 0.61 . . . . 0.0 110.371 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . 27.4 ttmt -62.0 -51.75 66.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.598 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.2 tp -59.37 -58.05 10.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.281 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.58 78.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.249 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.82 -40.17 96.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -67.15 -33.99 76.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.581 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 54' ' ' ARG . 96.9 t -65.59 -50.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -21.99 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.177 -177.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 176.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -62.73 -35.44 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.035 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 t -81.16 -23.95 37.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.294 -177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.94 -61.57 2.48 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.66 -38.91 67.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.866 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 10' ' ' THR . 31.5 tt0 -52.45 -56.38 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.386 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.2 p -59.63 -36.57 76.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.641 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 19' ' ' ILE . 6.4 mp -69.65 -52.15 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.907 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.2 mt -56.96 -45.96 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.868 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -45.54 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.293 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' B' ' 22' ' ' VAL . 35.7 tt0 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.782 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 15' ' ' LEU . 3.3 pt -70.75 -36.56 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 111.387 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.93 -43.45 95.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.411 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.6 t -61.33 -38.41 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.44 -48.5 82.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.187 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD11 HD21 ' A' ' 37' ' ' LEU . 66.6 mt -59.23 -44.17 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.682 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.61 -32.38 60.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.849 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 21' ' ' VAL . 50.7 mtmt -67.74 -38.46 83.54 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 122.208 -0.308 . . . . 0.0 111.032 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -79.4 -14.76 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 tttp 52.33 62.89 2.47 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.806 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 123.62 89.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.405 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.89 168.52 3.31 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.885 2.39 . . . . 0.0 112.281 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -52.85 -51.51 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.853 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.73 -41.74 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.762 0.315 . . . . 0.0 111.008 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.52 -44.88 95.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 13.6 p -66.14 -46.8 76.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.905 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.14 -46.24 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.598 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttp -63.26 -44.58 94.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.28 73.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.652 0.263 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.6 mm? -62.17 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.802 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.21 58.63 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.397 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -60.58 -38.91 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.503 0.192 . . . . 0.0 110.511 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.2 t -62.18 -50.57 71.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.004 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 37' ' ' LEU . 85.7 t -60.86 -44.02 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -68.56 -30.48 69.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.265 0.555 . . . . 0.0 110.066 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -71.16 -28.73 64.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.56 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.0 mt -64.76 -39.13 93.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.251 0.548 . . . . 0.0 110.102 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 73.3 mt -63.04 -32.59 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.261 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.17 -20.12 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.311 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -94.46 -47.62 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -116.13 -17.15 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.95 129.31 25.05 Favored Pre-proline 0 C--N 1.319 -0.732 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.817 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.4 Cg_exo -62.73 147.53 94.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.563 2.175 . . . . 0.0 111.064 171.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.497 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m -58.97 -33.02 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -172.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.53 -35.33 77.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.252 0.549 . . . . 0.0 110.855 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -93.4 -17.96 22.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.331 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 51' ' ' SER . 94.2 mtt180 -55.11 -41.36 71.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -49.06 47.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.65 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.488 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.36 -47.88 90.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.554 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.87 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.48 -48.13 73.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.106 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.29 -35.08 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' B' ' 38' ' ' GLY . 39.7 t80 -56.95 -49.62 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -59.05 -43.26 91.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.159 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 19.1 ttmt -68.08 -29.47 68.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.104 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.72 95.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.668 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.5 mt -63.69 -40.71 97.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.0 91.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.869 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 60.0 mm-40 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.2 m -65.2 -42.87 93.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.323 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 65' ' ' LEU . 48.2 t -61.21 -45.72 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.132 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 178.561 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.04 -39.46 82.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 0.0 110.203 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -59.41 -42.9 92.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -62.54 -52.86 61.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.15 -44.4 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.27 -50.39 74.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.9 p -67.31 -37.51 83.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.841 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 19' ' ' ILE . 49.2 tp -60.36 -51.86 67.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.469 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 90.3 mt -58.2 -43.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.298 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.46 -38.79 85.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.252 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.62 -46.94 85.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.706 0.288 . . . . 0.0 110.928 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 15' ' ' LEU . 10.7 mt -61.12 -39.41 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.231 0.539 . . . . 0.0 109.884 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.4 mt -65.28 -41.86 93.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.0 t -57.54 -40.65 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.433 HG13 ' OE2' ' A' ' 18' ' ' GLU . 88.8 t -61.01 -44.57 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.566 HD11 HD21 ' B' ' 37' ' ' LEU . 73.9 mt -71.83 -36.72 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.51 -40.44 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.732 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.79 -31.9 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.555 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.449 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 57.5 m170 -84.06 -27.05 28.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.215 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.34 37.32 28.02 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.26 0.552 . . . . 0.0 110.065 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.53 135.22 90.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.443 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.76 174.67 10.75 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.616 2.211 . . . . 0.0 111.223 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -56.2 -39.82 73.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.195 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.87 -55.28 34.42 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.338 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.448 ' HG ' HD22 ' A' ' 15' ' ' LEU . 32.9 tp -77.37 -33.22 55.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.568 -170.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' B' ' 37' ' ' LEU . 12.0 p -66.14 -57.01 8.61 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.06 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.64 -37.78 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -61.02 -52.52 64.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.75 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.88 69.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.566 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -59.24 -45.34 91.43 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 61' ' ' PHE . . . -57.93 -44.99 94.22 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.146 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.55 -38.72 90.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.72 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.523 ' SG ' HG23 ' A' ' 16' ' ' ILE . 75.0 m -61.84 -48.02 82.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.472 0.177 . . . . 0.0 111.472 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 37' ' ' LEU . 62.1 t -58.93 -46.95 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.676 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 45' ' ' LEU . 1.3 m -73.41 -24.07 60.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 24.3 t60 -73.09 -36.7 66.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.722 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.77 -22.84 62.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.712 0.292 . . . . 0.0 110.633 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 42' ' ' THR . 89.8 mt -61.96 -38.66 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.998 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 25.4 mt-10 -65.49 -30.0 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 0.0 110.516 178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 43' ' ' HIS . 3.8 mmt180 -87.64 -53.36 4.82 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.071 -168.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -100.63 -8.41 22.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 29.9 t -121.85 132.87 24.15 Favored Pre-proline 0 C--N 1.321 -0.659 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.613 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.529 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 25.2 Cg_exo -62.73 147.59 94.51 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.748 2.298 . . . . 0.0 111.02 173.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -51.57 -42.69 62.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.21 -25.14 68.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 111.591 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m -102.06 -12.58 18.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.641 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.6 mtt180 -58.51 -48.05 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.9 -36.11 79.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.314 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.22 75.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.842 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -38.98 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.4 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.873 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.82 -42.42 97.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.86 -40.71 83.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.914 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.89 -39.05 87.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -66.44 -42.38 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -61.12 -47.47 86.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.08 90.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.72 -60.42 3.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.527 0.68 . . . . 0.0 110.472 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 50.7 tt0 -79.92 -22.49 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.642 0.258 . . . . 0.0 110.564 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -64.76 -40.82 95.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.63 -41.19 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.297 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.629 ' HB2' ' HA ' ' B' ' 67' ' ' GLN . 58.1 mttp -60.17 -23.93 64.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.191 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 -179.201 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.238 0.452 0 CA-C-O 121.025 0.44 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -52.43 -44.37 65.42 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.79 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.2 m -56.84 -45.92 82.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -63.89 -44.8 91.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.85 -42.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.39 -43.26 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -58.69 -46.29 87.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.261 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' B' ' 36' ' ' ALA . 29.5 tp -61.23 -48.28 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.735 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.41 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.17 -40.09 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.0 mt-10 -68.7 -44.8 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.326 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -65.86 -31.4 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.61 0.243 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.54 -42.9 73.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 110.46 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.0 t -59.71 -38.72 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.366 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' B' ' 18' ' ' GLU . 78.1 t -58.71 -48.61 85.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.495 175.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -54.9 -49.29 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -34.27 77.39 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' HG12 ' A' ' 21' ' ' VAL . 96.3 mttt -63.03 -36.25 82.93 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.242 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -88.52 -15.87 34.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.142 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 50.17 80.49 0.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.619 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.21 135.93 19.26 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.173 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.9 166.49 20.34 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.66 2.24 . . . . 0.0 111.551 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -55.78 -46.77 77.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.096 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.4 -43.89 75.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.972 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' B' ' 12' ' ' VAL . 36.4 tp -73.72 -43.03 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.975 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 18.4 p -62.48 -46.68 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.424 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.52 -36.55 84.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 tpp -62.02 -49.93 74.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.4 88.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -61.19 -45.92 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.421 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.97 94.8 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.709 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -70.4 -28.65 65.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.684 0.278 . . . . 0.0 110.746 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.22 -45.83 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.694 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' B' ' 37' ' ' LEU . 54.5 t -63.01 -42.42 96.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.089 0.471 . . . . 0.0 110.143 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.3 m -64.09 -39.3 93.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.563 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.13 -34.93 70.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.26 -45.17 61.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.815 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 69.6 mt -58.94 -53.38 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.19 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 3.3 tp10 -69.43 -20.64 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.903 -172.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -107.48 -52.25 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -93.55 -7.88 42.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.858 0.361 . . . . 0.0 111.402 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t -111.46 133.32 21.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.65 0.262 . . . . 0.0 110.835 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 77.3 Cg_exo -50.62 145.44 22.76 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.127 2.551 . . . . 0.0 112.671 177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 m -52.66 -45.07 66.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.907 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -70.6 -24.53 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -175.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 m -94.15 -15.77 24.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.789 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 91.6 mtt180 -55.8 -39.08 70.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.47 0.176 . . . . 0.0 111.243 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.97 -51.66 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.77 98.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.96 -175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.82 -38.43 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.2 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.35 -46.16 89.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.684 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -68.36 -38.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.666 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.19 -43.44 95.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.052 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.41 89.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.496 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.96 -51.39 64.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.975 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.228 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.03 -51.54 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.098 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -61.02 -45.38 95.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -57.73 -42.87 84.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.332 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -62.14 -41.61 98.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' B' ' 54' ' ' ARG . 92.3 t -73.09 -40.62 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.375 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.708 ' HE2' ' HB1' ' A' ' 66' ' ' ALA . 61.3 mttm . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.485 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 35.8 t . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.74 -32.56 71.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.21 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -74.8 -36.02 62.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.663 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 58.2 tp60 -59.03 -51.85 68.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 32' ' ' LEU . 46.4 t -61.03 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.34 -42.63 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.434 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.4 m -63.9 -36.05 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.02 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.553 ' O ' HG13 ' B' ' 19' ' ' ILE . 6.4 mp -62.06 -41.32 98.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.675 0.274 . . . . 0.0 110.727 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 12' ' ' VAL . 67.4 mt -59.14 -45.96 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.075 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.4 -35.02 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.154 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 14' ' ' SER . 9.1 mm-40 -59.75 -48.38 81.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.325 0.583 . . . . 0.0 110.61 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 15' ' ' LEU . 2.1 mt -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.018 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.41 -41.08 96.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 17' ' ' ALA . 71.5 t -55.87 -46.14 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.23 -42.25 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.551 HD11 HD21 ' B' ' 37' ' ' LEU . 97.5 mt -62.37 -41.36 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.26 -23.69 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.584 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HE2' HG12 ' B' ' 21' ' ' VAL . 68.7 mttm -61.68 -40.75 96.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.664 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -99.25 3.44 46.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.183 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 tptt 57.86 37.09 26.88 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.587 0.555 . . . . 0.0 110.591 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -58.05 116.55 14.97 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.288 -173.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 17.6 Cg_exo -67.56 176.81 4.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.243 2.629 . . . . 0.0 111.806 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 m -48.16 -56.03 8.89 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -60.1 -47.6 85.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.534 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.54 -34.01 76.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.703 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.441 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.0 m -63.37 -53.65 49.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.964 0.412 . . . . 0.0 109.966 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.33 -36.85 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.119 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.9 ttm -62.5 -55.9 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -59.55 -46.17 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.36 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.4 mm? -63.17 -45.22 92.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.37 94.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.295 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -63.05 -38.99 93.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.676 0.274 . . . . 0.0 110.27 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 45.7 t -60.13 -53.92 52.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 97.7 t -54.85 -47.61 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -62.42 -40.07 95.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.39 -29.67 62.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 74.0 mt -63.54 -48.73 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.3 mt -58.42 -31.83 68.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.478 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.66 -45.3 37.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.719 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -26.44 26.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -112.02 -40.82 4.12 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.559 -0.457 . . . . 0.0 112.133 -173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.455 HG21 HD23 ' B' ' 45' ' ' LEU . 41.7 t -93.5 135.85 24.85 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.352 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.6 149.22 83.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.79 2.327 . . . . 0.0 111.785 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -54.06 -36.52 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.18 -43.67 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -88.99 -14.52 36.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.442 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.1 ttm180 -55.91 -47.26 77.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.385 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 27.3 tt0 -73.34 -42.16 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.742 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.21 77.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.6 t -70.33 -34.58 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.12 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.124 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 38.2 mm-40 -59.51 -46.06 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.197 0.522 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.95 -43.02 97.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.52 -44.3 97.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.464 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.32 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.718 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -69.45 -38.98 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.95 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.192 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.61 -45.78 92.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.98 90.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.53 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -67.24 -39.33 86.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.263 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -64.06 -29.86 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.63 -49.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.604 . . . . 0.0 110.668 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' B' ' 70' ' ' LYS . 35.8 ttpt -60.78 -36.43 78.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.972 -174.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 111.059 -177.503 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -55.97 -35.95 67.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 110.093 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -62.54 -45.52 92.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.173 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.42 -47.05 83.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.329 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.527 HG22 HD11 ' B' ' 32' ' ' LEU . 62.1 t -66.45 -50.16 69.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.805 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.39 -41.67 94.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.618 0.247 . . . . 0.0 111.016 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 23.3 t -63.8 -39.56 94.55 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 19' ' ' ILE . 33.0 tp -65.23 -43.07 92.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.549 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.7 mt -58.38 -43.8 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.145 0.498 . . . . 0.0 109.819 175.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.803 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' SER . 21.2 mm-40 -54.94 -48.4 73.21 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.316 0.385 . . . . 0.0 110.473 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' B' ' 19' ' ' ILE . 4.9 mm -62.4 -42.6 96.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.019 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.45 -35.85 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.985 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.8 t -61.84 -40.59 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.614 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.82 -50.48 79.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.072 0.463 . . . . 0.0 110.228 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 76.8 mt -56.46 -49.3 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.356 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.75 -36.51 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.285 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HE2' HG12 ' A' ' 21' ' ' VAL . 64.7 mttm -60.11 -33.95 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.712 0.291 . . . . 0.0 111.428 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.44 -11.14 52.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt 58.53 29.25 18.14 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.637 0.586 . . . . 0.0 110.07 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -66.59 133.0 94.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.916 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 24.9 Cg_exo -63.57 160.53 35.64 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.675 2.25 . . . . 0.0 110.879 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG22 ' B' ' 49' ' ' VAL . 2.1 m -57.72 -35.4 70.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.637 0.256 . . . . 0.0 111.353 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.2 -53.5 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -72.71 -31.22 64.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -62.25 -52.02 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.409 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.94 -36.99 83.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.451 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.2 ttm -60.74 -48.63 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -47.02 74.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 23' ' ' LEU . 4.1 mm? -60.56 -46.33 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.35 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.61 89.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.399 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.018 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.91 -47.87 84.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 111.355 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' B' ' 37' ' ' LEU . 60.5 t -57.9 -48.24 84.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -73.96 -29.31 61.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.988 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -69.17 -40.74 77.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.264 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD11 HD13 ' B' ' 23' ' ' LEU . 95.9 mt -68.72 -41.03 79.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 176.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -60.98 -42.68 98.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.663 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.2 -45.19 81.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.237 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -87.24 -5.71 58.84 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.915 -170.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 18.8 tptm -118.37 -34.74 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.874 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.77 127.07 28.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.727 0.299 . . . . 0.0 110.943 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.87 151.8 74.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -49.29 -38.83 28.66 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.62 0.575 . . . . 0.0 112.335 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -56.72 -54.96 40.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.928 0.395 . . . . 0.0 111.585 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 m -89.29 -3.88 58.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.953 0.406 . . . . 0.0 111.068 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG3' HD22 ' A' ' 45' ' ' LEU . 39.2 ttm180 -64.8 -42.25 95.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -68.6 -32.95 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.749 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.72 71.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' HB ' HD21 ' A' ' 45' ' ' LEU . 67.9 t -62.95 -39.37 84.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.471 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.53 90.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.623 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.7 mm-40 -58.43 -48.24 81.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.063 176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.02 -43.57 98.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.57 -46.1 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.382 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.98 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.247 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 62.8 mttp -61.88 -48.03 82.31 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.713 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.97 81.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.424 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.91 -54.62 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -63.26 -43.38 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.094 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -55.57 -40.15 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -64.51 -52.22 58.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' B' ' 55' ' ' GLN . 46.9 t -61.59 -33.44 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.899 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 28.0 mtpp . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.29 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.615 0.245 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -58.6 -27.29 64.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.2 m -56.45 -45.4 80.85 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -75.47 -36.26 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.528 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.81 -47.95 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.404 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.34 -49.51 75.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.385 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -59.59 -46.74 88.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.578 ' O ' HG13 ' B' ' 19' ' ' ILE . 0.5 OUTLIER -56.62 -51.9 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.16 -178.277 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.39 -48.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.55 -44.75 93.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.482 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.14 -39.86 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.29 . . . . 0.0 111.04 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 19' ' ' ILE . 50.7 mt -65.04 -42.98 96.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.06 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' B' ' 17' ' ' ALA . 61.6 t -60.49 -45.63 96.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 18' ' ' GLU . 75.9 t -61.13 -49.3 85.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.448 0.166 . . . . 0.0 111.446 -178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.684 HD11 HD21 ' B' ' 37' ' ' LEU . 71.8 mt -50.39 -53.31 30.16 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.71 -32.01 67.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 -175.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.15 -37.98 87.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.63 -9.64 59.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 59.72 67.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.791 0.805 . . . . 0.0 109.581 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.91 118.96 65.53 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.085 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.71 161.89 11.65 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.449 2.1 . . . . 0.0 111.091 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -57.62 -36.95 72.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.621 0.248 . . . . 0.0 110.583 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.63 -50.49 72.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.287 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.527 HD11 HG22 ' A' ' 12' ' ' VAL . 25.1 tp -72.66 -31.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.648 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.414 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.8 m -62.76 -53.81 48.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.311 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -35.05 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttm -63.51 -49.76 72.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.772 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.96 38.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.684 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -54.61 -46.3 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.481 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.67 -49.96 72.04 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.671 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -65.33 -36.97 85.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.605 0.241 . . . . 0.0 110.704 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 42.1 t -60.8 -51.07 70.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.716 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.8 t -59.74 -44.31 93.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -39.28 88.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 110.513 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.54 -34.75 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.786 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.2 mt -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.316 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.83 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 58.8 mt -66.89 -44.0 81.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.742 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.74 -41.76 95.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.511 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.6 tpt180 -100.16 -33.76 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -170.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -113.76 -0.45 14.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.965 -170.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 30' ' ' THR . 41.5 t -123.78 134.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.27 . . . . 0.0 111.135 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.74 141.65 91.25 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.601 2.201 . . . . 0.0 111.238 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -52.04 -37.93 55.29 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.87 -51.64 57.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -71.01 -26.38 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.321 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 41.0 ttm180 -51.15 -49.84 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.589 0.756 . . . . 0.0 111.614 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.515 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.6 mt-30 -77.64 -27.62 51.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.28 62.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -71.49 -26.69 26.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.465 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.854 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.541 ' O ' ' HD3' ' B' ' 63' ' ' LYS . 51.6 mm-40 -62.12 -55.19 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.055 174.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.41 -45.64 93.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.636 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.54 -45.01 94.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.014 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.69 99.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.018 0.437 . . . . 0.0 110.749 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' B' ' 59' ' ' GLU . 0.6 OUTLIER -61.99 -47.46 84.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 176.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.86 90.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.528 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.53 -42.78 99.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -58.35 -41.42 84.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.983 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.6 t -61.86 -50.16 73.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.713 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.7 -38.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -66.62 -22.9 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.885 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.854 178.351 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -59.03 -31.46 68.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -58.73 -38.51 78.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -70.3 -46.94 63.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.241 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 16' ' ' ILE . 38.8 t -58.97 -47.7 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.212 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.52 -42.26 96.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.675 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 12.5 p -70.07 -35.12 73.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.857 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 19' ' ' ILE . 4.7 mp -61.45 -43.91 98.04 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 12' ' ' VAL . 80.9 mt -57.32 -43.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.133 176.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.79 -39.29 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.051 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 14' ' ' SER . 17.9 mm-40 -56.72 -48.18 78.33 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.268 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' B' ' 19' ' ' ILE . 9.1 mt -68.53 -34.4 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.445 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -63.3 -38.54 91.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.425 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ALA . 93.9 t -60.14 -39.87 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.1 t -61.46 -53.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.731 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 37' ' ' LEU . 98.4 mt -53.24 -48.64 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.807 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.78 -28.14 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.5 -37.75 70.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.032 0.444 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -102.81 -0.99 30.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.1 tttp 52.27 56.79 7.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.788 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 124.53 90.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.696 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.91 173.06 5.17 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.618 2.212 . . . . 0.0 111.782 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -58.25 -41.08 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.635 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.66 -51.14 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 40.3 tp -73.17 -36.77 66.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.445 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -66.35 -47.39 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.817 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.61 -41.25 89.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.994 0.426 . . . . 0.0 110.336 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 ttm -63.59 -50.7 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.995 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.47 76.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 23' ' ' LEU . 4.0 mm? -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.68 55.52 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.735 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.23 -33.03 73.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.29 . . . . 0.0 111.331 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HA ' ' ND1' ' A' ' 43' ' ' HIS . 73.4 m -68.63 -50.03 54.51 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.485 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' B' ' 37' ' ' LEU . 79.0 t -57.75 -45.2 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.568 0.543 . . . . 0.0 110.597 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 11.4 m -63.55 -44.55 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.299 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.718 ' ND1' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -70.0 -31.27 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.691 -173.28 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 3.5 pp -85.93 -19.43 30.5 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.469 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 9.9 tt -69.34 -36.79 77.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 42' ' ' THR . 37.9 mt-10 -75.36 -36.29 60.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.025 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -84.8 -44.98 12.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -170.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -90.34 -20.63 22.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.449 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.635 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 55.8 t -110.38 131.03 22.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 18.9 Cg_endo -60.59 154.89 51.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.959 2.439 . . . . 0.0 112.09 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 m -54.54 -42.82 71.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.928 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.75 -32.67 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.004 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -97.08 -7.77 31.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 94.1 mtt180 -59.36 -49.43 77.84 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.553 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.29 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -71.75 -24.15 22.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.9 82.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.929 0.395 . . . . 0.0 110.331 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.91 -42.99 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.425 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.78 -49.66 76.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.609 0.242 . . . . 0.0 110.489 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.59 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.457 . . . . 0.0 110.144 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 2.3 tppp? -62.0 -52.49 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.369 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.12 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.911 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 15.2 tp -61.93 -57.65 10.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.254 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 70' ' ' LYS . . . -58.34 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -65.53 -44.69 86.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -71.75 -18.96 62.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.096 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 53.7 t -75.76 -44.09 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.595 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 26.8 pttt . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.599 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 31.1 t . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -55.81 -45.56 78.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.383 0.427 . . . . 0.0 110.03 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.82 -37.64 88.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -62.49 -48.81 77.96 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.515 0.197 . . . . 0.0 110.774 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 49.1 t -70.4 -44.11 77.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.77 -52.03 67.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.464 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -67.31 -26.58 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.929 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.601 ' O ' HG13 ' B' ' 19' ' ' ILE . 59.4 tp -68.47 -51.19 46.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 40' ' ' CYS . 86.7 mt -54.06 -44.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.695 177.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.538 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.8 -41.73 98.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.458 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.65 -39.57 91.54 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.223 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' A' ' 19' ' ' ILE . 53.0 mt -62.88 -39.81 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.114 177.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 43' ' ' HIS . 94.4 mt -63.28 -39.97 96.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.99 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.4 t -55.36 -47.56 77.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 22' ' ' VAL . 69.0 t -58.38 -52.57 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.297 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.53 HD11 HD21 ' B' ' 37' ' ' LEU . 96.1 mt -50.1 -48.47 53.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.105 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.67 -22.58 50.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.631 0.253 . . . . 0.0 111.182 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 52.3 mtpt -64.54 -27.71 69.15 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.872 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -99.2 -4.19 32.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.956 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 54.94 65.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.418 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -88.26 128.89 51.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.128 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 15.8 Cg_exo -67.59 173.27 9.16 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.714 2.276 . . . . 0.0 111.568 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.8 m -60.65 -38.22 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.646 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -54.86 22.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.926 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 28.8 tp -59.08 -37.04 76.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.489 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.432 ' O ' HD23 ' B' ' 37' ' ' LEU . 6.0 p -67.87 -44.5 76.91 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.875 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.76 -40.06 86.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.664 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.1 mtp -68.07 -53.11 28.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.46 85.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.617 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.5 mm? -66.88 -43.37 83.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.414 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.06 50.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.598 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.13 -27.02 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.584 0.23 . . . . 0.0 110.916 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 48.8 t -64.61 -44.48 90.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.1 t -60.92 -44.64 98.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.436 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -42.0 97.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 177.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.49 -30.82 71.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 93.8 mt -67.94 -41.53 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.48 -52.03 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.913 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.751 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 7.4 pt-20 -64.05 -29.58 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.685 ' HE ' ' HA ' ' B' ' 47' ' ' ARG . 1.6 mmp_? -100.15 -6.07 26.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -117.25 -39.04 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' HB2' ' B' ' 53' ' ' SER . 21.3 t -110.55 140.28 22.4 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 74.3 Cg_exo -51.64 152.94 11.81 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.056 2.504 . . . . 0.0 112.526 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.483 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 50.4 m -50.19 -56.54 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.01 -28.99 61.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.279 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.509 ' HB2' HG12 ' B' ' 49' ' ' VAL . 7.1 m -71.71 -24.87 61.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -177.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.751 ' NE ' ' HA ' ' B' ' 46' ' ' GLU . 78.3 mtt180 -55.24 -37.71 67.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -61.3 -42.15 98.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.964 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.69 83.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.48 -38.74 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.69 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.28 -44.68 94.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.013 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 2.1 mp0 -66.22 -37.97 86.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.865 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -63.45 -45.99 88.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.84 79.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.796 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 60' ' ' GLN . 22.7 mtpp -61.11 -50.15 74.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.961 175.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.13 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.082 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.7 tp -64.65 -47.06 79.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.991 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.42 88.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.678 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.72 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -36.32 74.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.085 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 65' ' ' LEU . 73.1 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.019 0.438 . . . . 0.0 110.38 174.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.94 -10.14 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.284 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.214 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.632 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 35.4 t . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.24 -50.46 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.675 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -67.19 -22.16 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 42.7 tt0 -66.02 -56.93 9.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' B' ' 32' ' ' LEU . 47.1 t -59.58 -38.82 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.788 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -53.86 -49.32 68.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.919 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 m -61.72 -38.68 88.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.02 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.613 ' O ' HG13 ' A' ' 19' ' ' ILE . 10.9 mp -62.39 -56.89 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.247 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' B' ' 36' ' ' ALA . 67.3 mt -56.28 -42.96 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.38 -46.97 85.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.667 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 27.3 tt0 -72.64 -31.18 64.92 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.13 -176.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' B' ' 19' ' ' ILE . 59.3 mt -63.27 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.632 0.729 . . . . 0.0 109.242 174.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 84.2 mt -62.33 -39.86 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.041 172.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 17' ' ' ALA . 89.7 t -63.73 -27.18 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' B' ' 22' ' ' VAL . 87.0 t -61.72 -53.95 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 109.703 172.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.663 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -56.39 -46.12 80.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.114 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.9 mm-40 -61.69 -40.71 95.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.555 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -55.37 -45.04 76.55 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -88.76 -11.25 45.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.9 ttmp? 54.64 70.29 0.63 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.493 0.663 . . . . 0.0 109.875 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -91.09 132.28 34.69 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 27.5 Cg_exo -63.07 170.24 7.91 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.604 2.203 . . . . 0.0 111.76 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -46.85 73.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.535 -176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.9 -51.54 67.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.71 -38.4 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.724 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 37' ' ' LEU . 54.4 m -64.7 -53.65 43.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.95 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.32 -39.75 88.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.757 0.313 . . . . 0.0 111.062 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 ttm -63.14 -45.82 90.12 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.23 71.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -58.9 -45.2 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.518 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.43 87.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.708 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.574 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 34.0 m-80 -65.75 -33.01 74.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 111.104 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' HG23 ' B' ' 16' ' ' ILE . 79.8 m -66.05 -31.3 72.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.837 -0.165 . . . . 0.0 110.752 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' B' ' 65' ' ' LEU . 48.5 t -71.78 -51.68 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.694 0.283 . . . . 0.0 110.585 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 p -66.93 -40.82 87.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.632 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -60.88 -20.39 61.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.044 -178.04 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 65.1 mt -85.72 -41.48 15.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 109.97 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 60.9 mt -60.48 -53.93 51.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 2.9 mp0 -63.25 -21.11 66.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.197 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 7.4 tpt180 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -173.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -106.09 -38.04 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.22 129.89 24.33 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 120.588 0.233 . . . . 0.0 111.578 -168.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.23 143.22 85.93 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.806 2.337 . . . . 0.0 111.376 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.7 m -52.21 -33.96 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -172.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -72.0 -46.51 56.96 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.448 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' VAL . 16.5 m -74.21 -25.69 59.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.029 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 35.7 ttm180 -57.73 -34.39 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.67 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 51' ' ' SER . 65.3 mt-30 -63.78 -43.93 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.356 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.22 82.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.811 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 53' ' ' SER . 61.2 t -61.88 -41.29 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.354 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.78 99.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -58.15 -48.43 80.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.588 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.3 -34.15 67.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.344 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.48 -51.41 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.424 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -31.72 72.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.303 0.573 . . . . 0.0 110.402 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 2.2 ttmp? -66.99 -44.55 80.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.31 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.76 81.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.61 -55.96 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.053 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.49 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.23 -41.3 88.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.541 ' HB2' HG21 ' B' ' 42' ' ' THR . 18.4 m -66.58 -33.87 76.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.12 0.486 . . . . 0.0 110.463 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.07 -40.64 78.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.162 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.87 -47.5 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.423 . . . . 0.0 110.329 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.3 m -60.15 -41.37 92.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.452 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.75 -51.86 64.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.325 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.42 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.49 -20.11 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.543 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -78.05 -36.03 48.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.566 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.8 tp -60.33 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.5 mt -56.21 -41.77 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.79 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.576 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.59 -45.17 81.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.609 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.56 -39.68 94.19 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' A' ' 19' ' ' ILE . 29.4 mt -60.04 -40.75 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.251 0.548 . . . . 0.0 109.776 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 46.7 mt -67.62 -40.11 84.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.773 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 17' ' ' ALA . 94.9 t -57.91 -42.02 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.527 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 22' ' ' VAL . 70.0 t -62.19 -49.98 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.655 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.35 -48.11 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.034 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.37 -44.96 92.66 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.887 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -65.25 -27.65 68.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 111.602 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -90.72 -4.34 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 9.5 mtpm? 54.1 39.56 30.77 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.64 0.587 . . . . 0.0 110.527 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.62 121.73 85.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.063 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.52 171.94 14.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.688 2.258 . . . . 0.0 111.721 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -56.53 -43.71 80.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.06 -49.18 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.555 0.217 . . . . 0.0 110.791 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.46 HD11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -62.53 -41.52 98.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.461 ' O ' HD23 ' B' ' 37' ' ' LEU . 35.1 p -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.044 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.74 -40.51 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 84.0 mtp -63.94 -41.97 97.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.733 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -68.42 -50.7 50.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.285 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.0 mm? -58.08 -43.27 86.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.265 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.79 71.24 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.842 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 40.9 m-80 -71.07 -29.3 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.738 -0.271 . . . . 0.0 110.923 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.497 ' SG ' HD11 ' A' ' 37' ' ' LEU . 42.4 t -63.83 -49.97 70.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.414 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -61.22 -47.24 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.619 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 68' ' ' SER . 9.2 m -62.97 -36.43 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.356 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -69.59 -26.19 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.961 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 96.3 mt -65.8 -37.56 86.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.36 -37.5 87.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.568 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.52 -33.89 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -95.11 -42.11 8.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -106.75 -6.31 17.89 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -171.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.79 132.61 24.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 0.0 111.408 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.623 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.81 153.79 41.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.993 2.462 . . . . 0.0 111.919 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 17.5 m -53.54 -47.92 69.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -32.92 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.387 . . . . 0.0 111.011 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' B' ' 50' ' ' PRO . 28.2 t -74.22 -17.81 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 -177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.4 mtt180 -60.33 -38.86 85.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.11 -41.76 85.69 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.474 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.017 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 53' ' ' SER . 49.9 t -68.11 -37.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.73 84.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.731 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.08 -45.8 91.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.21 -48.21 81.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.67 -44.5 96.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.329 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.23 89.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.22 -38.28 60.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.971 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.385 0.612 . . . . 0.0 109.978 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.485 HD11 ' HB ' ' A' ' 41' ' ' VAL . 14.4 tp -65.45 -51.27 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.971 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.9 82.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -62.03 -38.17 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -67.86 -30.5 69.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.28 -42.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 109.957 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -67.17 -12.27 59.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.506 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.812 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 29.5 t . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.19 -32.03 73.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -67.21 -38.13 84.77 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.49 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 6.0 tp-100 -60.61 -53.47 57.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.212 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 16' ' ' ILE . 60.7 t -57.05 -48.96 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.969 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.38 -45.48 84.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.025 0.44 . . . . 0.0 110.841 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.2 m -65.42 -39.63 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 19' ' ' ILE . 38.8 tp -62.12 -47.11 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.003 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 12' ' ' VAL . 38.4 mm -55.36 -49.85 69.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 110.478 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.569 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.28 -40.67 90.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.648 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' B' ' 19' ' ' ILE . 69.8 mt -62.76 -42.25 95.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.28 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.3 mt -65.69 -33.94 77.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.617 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 17' ' ' ALA . 66.0 t -62.05 -33.46 58.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.471 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' B' ' 22' ' ' VAL . 63.9 t -64.29 -51.56 66.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.921 176.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 33' ' ' SER . 96.1 mt -55.41 -43.98 75.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.22 -33.23 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.51 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.149 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -92.02 -6.74 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.48 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.32 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.191 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.62 127.23 27.18 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.862 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.8 162.22 19.29 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.443 2.095 . . . . 0.0 111.467 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.5 m -51.91 -39.44 59.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.467 . . . . 0.0 110.614 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.78 -52.93 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.532 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.847 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 23' ' ' LEU . 58.0 m -64.2 -45.5 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.664 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.2 mt -58.43 -39.77 80.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.293 176.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.84 -57.75 10.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 111.18 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.608 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -74.78 -28.3 60.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.06 -176.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' HD23 ' A' ' 37' ' ' LEU . . . -66.09 -49.47 57.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.471 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -66.87 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.434 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.1 t -61.13 -50.38 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.173 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' B' ' 37' ' ' LEU . 61.2 t -52.11 -53.71 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.308 177.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -39.09 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.076 0.465 . . . . 0.0 111.005 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -67.79 -24.23 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 87.8 mt -68.46 -40.51 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.36 . . . . 0.0 110.145 175.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.04 -38.61 91.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.251 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 24.4 mm-40 -64.84 -21.57 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.003 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 9.0 ptp180 -105.76 -50.22 3.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 50.8 mttp -90.69 -10.65 42.32 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -172.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.3 t -123.79 133.22 24.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.424 . . . . 0.0 111.465 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.576 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 37.5 Cg_exo -61.69 148.26 93.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.695 2.263 . . . . 0.0 111.12 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -54.5 -42.1 70.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 0.0 111.364 -175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.6 mp0 -58.92 -33.56 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.544 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 m -93.19 -23.3 18.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.672 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.7 mtt180 -54.55 -47.78 72.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.532 ' HG3' ' HG2' ' B' ' 70' ' ' LYS . 6.6 tt0 -62.14 -40.95 97.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.973 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.91 88.06 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.95 -40.1 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.703 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' B' ' 69' ' ' VAL . . . -58.25 -50.25 74.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.396 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -58.4 -43.2 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.97 -39.98 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.414 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.2 -42.82 99.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.711 0.291 . . . . 0.0 110.253 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.88 -43.54 90.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.32 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 32.2 ttmt -60.68 -51.96 67.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.567 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.95 99.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.565 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.77 -49.18 78.63 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.366 0.603 . . . . 0.0 110.144 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.82 91.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 13.9 mm100 -66.47 -34.11 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.167 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 t -62.51 -34.4 76.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.7 t -87.51 -42.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.159 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm . . . . . 0 N--CA 1.466 0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.193 -174.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.95 -28.71 70.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -69.33 -38.95 78.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.391 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -62.48 -55.41 27.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.543 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 11.4 t -65.01 -39.21 84.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.389 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -54.18 -56.74 15.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.629 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 50.9 m -69.26 -27.22 65.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.274 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.504 ' O ' HG13 ' B' ' 19' ' ' ILE . 32.4 tp -66.46 -43.32 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 84.7 mt -61.2 -41.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.669 174.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.554 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.47 -38.45 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.008 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' B' ' 14' ' ' SER . 22.7 mm-40 -57.21 -49.9 74.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.325 0.583 . . . . 0.0 110.013 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -63.34 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.552 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.9 mt -61.79 -40.22 94.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.988 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 17' ' ' ALA . 65.0 t -61.01 -42.24 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 22' ' ' VAL . 58.7 t -56.42 -55.82 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.978 0.418 . . . . 0.0 110.61 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.722 HD11 HD21 ' B' ' 37' ' ' LEU . 62.4 mt -57.12 -47.65 80.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.838 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.97 -29.95 61.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -65.84 -44.17 86.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.046 0.45 . . . . 0.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -77.91 -7.18 56.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 tttp 54.79 58.8 4.52 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.474 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.42 116.31 62.99 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.065 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.96 167.46 7.18 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.634 2.222 . . . . 0.0 111.479 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -50.72 -42.15 56.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.307 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.3 -55.56 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.497 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -76.42 -34.6 58.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.658 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -67.64 -46.37 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.5 0.19 . . . . 0.0 111.119 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.43 -37.88 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.83 -40.98 94.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.318 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.13 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.059 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.722 HD21 HD11 ' B' ' 23' ' ' LEU . 4.4 mm? -59.86 -35.97 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.356 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.22 -38.27 94.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.355 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -82.36 -20.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.568 0.223 . . . . 0.0 111.099 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.74 -50.16 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.652 0.263 . . . . 0.0 110.362 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 37' ' ' LEU . 56.5 t -57.76 -46.12 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.336 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -38.58 79.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.821 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.38 -32.46 74.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.598 0.237 . . . . 0.0 110.738 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.32 -43.91 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 0.0 109.94 175.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.729 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 91.0 mt -64.59 -51.0 64.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.214 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.2 mm-40 -63.23 -18.15 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -100.14 -56.33 2.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.519 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -84.29 -42.56 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.91 127.88 41.41 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.125 -171.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.37 148.56 86.06 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.552 2.168 . . . . 0.0 111.243 174.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.476 ' HA ' ' HB3' ' B' ' 54' ' ' ARG . 22.9 t -50.81 -35.27 31.33 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -50.25 -51.48 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.467 0.479 . . . . 0.0 111.22 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m -94.41 -23.14 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.905 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 36.2 ttm180 -52.91 -53.71 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.36 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.486 HE21 ' C ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.72 -33.69 74.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.287 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.12 80.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.227 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.69 -39.2 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.24 -50.38 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.11 -38.78 89.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.544 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -68.12 -44.51 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.397 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.7 -43.56 98.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.211 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.2 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -66.22 -41.74 89.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 0.0 111.076 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.4 tp -66.87 -48.26 69.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.987 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -61.29 -42.69 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.903 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -54.18 -48.87 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.375 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -65.76 -34.99 79.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.541 0.21 . . . . 0.0 111.498 -176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.483 HG21 ' HB2' ' A' ' 58' ' ' ALA . 58.0 t -67.5 -46.31 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.483 0.659 . . . . 0.0 110.362 175.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.532 ' HG2' ' HG3' ' A' ' 55' ' ' GLN . 34.4 mtpt -74.96 -1.53 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.884 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.183 173.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.22 -51.04 65.71 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.26 0.35 . . . . 0.0 111.255 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -63.43 -31.13 72.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.7 -45.98 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.186 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.49 -44.68 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.25 -43.99 71.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.84 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -61.98 -40.51 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.6 mp -69.85 -45.83 66.92 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.855 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.4 mt -55.34 -47.38 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 O-C-N 123.24 0.338 . . . . 0.0 110.495 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.8 -38.4 81.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.461 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -68.62 -40.83 80.19 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.058 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' B' ' 19' ' ' ILE . 37.5 mt -65.87 -35.23 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.843 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 78.8 mt -64.2 -35.06 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.5 t -59.3 -40.94 82.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.7 t -58.63 -56.24 17.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 175.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.4 -44.31 72.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.752 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.78 -29.93 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.241 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.79 -43.11 76.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.107 0.48 . . . . 0.0 110.72 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -88.55 -8.69 54.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.884 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 3.9 ttmp? 58.48 59.05 3.11 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.717 0.77 . . . . 0.0 109.328 -174.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.63 124.63 75.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.37 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.53 172.5 13.27 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.62 2.213 . . . . 0.0 111.517 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.46 ' OG1' ' HG3' ' B' ' 48' ' ' LYS . 18.2 m -63.42 -32.55 74.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.003 0.43 . . . . 0.0 110.87 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.69 -52.12 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.127 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 tp -71.32 -33.77 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.349 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.4 p -68.76 -42.95 76.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.54 -41.37 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.35 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.6 tpp -60.71 -46.7 89.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.661 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.66 79.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.646 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 3.4 mm? -56.39 -49.36 74.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.807 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -19.05 58.73 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.078 -177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -95.11 -44.18 7.77 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.667 -0.314 . . . . 0.0 111.155 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 37' ' ' LEU . 27.1 p -67.98 -42.53 80.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.235 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' B' ' 37' ' ' LEU . 62.2 t -60.13 -47.42 92.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.135 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.52 ' OG1' HD22 ' B' ' 65' ' ' LEU . 4.3 m -75.82 -20.3 58.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.494 -174.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -74.12 -39.66 63.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.8 -37.27 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.273 0.559 . . . . 0.0 109.721 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.655 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 tt -66.62 -24.24 66.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.328 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.77 -45.06 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -81.77 -39.61 23.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.277 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -100.39 -0.32 38.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.832 -170.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.655 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 63.5 t -123.72 130.94 24.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.295 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 10.0 Cg_endo -54.58 149.91 37.46 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.927 2.418 . . . . 0.0 112.403 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.8 p -49.22 -56.78 8.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.914 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.22 -36.81 85.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 9.3 t -75.25 -19.38 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 -174.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.8 mtt180 -53.59 -43.29 68.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.212 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 46.5 mt-30 -59.73 -52.84 63.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.646 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.27 -48.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.884 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.2 95.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.008 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 45.9 mt-10 -61.47 -49.23 77.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.666 0.27 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.66 -46.93 83.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.66 -47.28 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -63.9 -39.36 94.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -67.28 -40.15 86.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.39 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.97 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.477 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.1 tp -61.09 -55.74 29.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.272 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.93 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.56 -46.12 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.2 p -67.26 -23.9 65.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.378 -176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 65' ' ' LEU . 58.9 t -72.43 -28.68 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.497 . . . . 0.0 110.167 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -177.639 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -58.21 -36.15 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.6 m -63.01 -35.36 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -75.93 -49.11 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.457 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -41.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.449 . . . . 0.0 110.069 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.82 -47.33 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.758 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -61.82 -37.28 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.601 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.511 ' O ' HG13 ' B' ' 19' ' ' ILE . 8.8 mp -62.01 -61.14 2.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.246 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -53.8 -39.99 41.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.762 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.16 -60.28 3.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.715 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.15 -33.93 75.39 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.553 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' A' ' 19' ' ' ILE . 73.5 mt -61.52 -45.2 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.031 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.8 -35.92 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.615 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 17' ' ' ALA . 32.8 t -55.97 -48.02 79.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.757 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 22' ' ' VAL . 79.4 t -60.36 -47.25 93.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.068 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.747 HD11 HD21 ' B' ' 37' ' ' LEU . 58.0 mt -63.76 -44.07 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.25 -32.24 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.7 -35.8 77.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.83 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 37.1 m170 -72.49 -28.03 62.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.08 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 53.81 44.46 29.52 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 122.07 0.938 . . . . 0.0 108.667 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 143.15 82.11 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.407 -1.269 . . . . 0.0 111.261 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.54 158.89 21.74 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.859 2.373 . . . . 0.0 111.579 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m -61.42 -35.85 78.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.736 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.15 -52.99 62.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.502 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.37 -30.03 69.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.492 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.481 ' O ' HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.5 -55.67 14.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.408 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.07 -37.72 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.91 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -65.07 -46.13 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.421 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.4 69.95 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.857 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.747 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.32 -39.47 93.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.332 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -48.67 78.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 35.4 m-80 -64.07 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.971 0.415 . . . . 0.0 110.653 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -67.43 -32.47 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.871 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 37' ' ' LEU . 41.3 t -69.46 -50.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.903 0.382 . . . . 0.0 110.249 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.6 p -67.28 -38.91 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.869 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.2 OUTLIER -63.95 -16.33 61.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -177.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.96 -45.58 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.362 . . . . 0.0 110.172 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 78.8 mt -59.93 -48.65 80.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -75.77 -2.27 29.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.798 0.332 . . . . 0.0 111.56 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -101.05 -49.75 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.559 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.46 ' HG3' ' OG1' ' A' ' 30' ' ' THR . 31.3 mmmt -117.7 6.28 12.38 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 38.7 t -123.58 130.97 24.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.445 0.164 . . . . 0.0 110.803 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.619 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 17.8 Cg_endo -61.12 153.09 67.12 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.862 2.375 . . . . 0.0 111.874 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -53.12 -38.99 63.11 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.86 -50.6 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.252 0.549 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -75.2 -21.52 58.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.53 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.8 mtt180 -53.02 -49.06 67.02 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.72 0.295 . . . . 0.0 110.722 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -71.07 -39.04 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.89 87.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.863 0.363 . . . . 0.0 111.332 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.22 -37.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.075 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.46 -32.25 71.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.598 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 50.9 t80 -59.72 -49.16 78.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.869 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.5 -42.49 96.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.928 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.12 -37.24 86.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.073 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.24 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.957 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.8 mt -63.52 -51.24 66.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.218 0.532 . . . . 0.0 109.642 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.41 83.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.493 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' B' ' 71' ' ' SER . 35.0 tt0 -62.93 -42.68 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.738 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -64.92 -26.85 68.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.358 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -95.69 -52.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 111.284 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -79.25 -37.45 37.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -169.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 67' ' ' GLN . 47.0 t . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.738 0.304 . . . . 0.0 111.338 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.803 0.335 . . . . 0.0 110.303 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -76.61 -35.44 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.817 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.7 -45.58 93.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.41 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 HD11 ' B' ' 32' ' ' LEU . 39.8 t -60.29 -45.63 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.38 -47.76 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.777 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 t -61.56 -38.26 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.656 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.3 tp -63.23 -51.32 66.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.443 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 19' ' ' ILE . 74.2 mt -59.21 -40.67 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.66 -46.21 81.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.846 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' B' ' 26' ' ' HIS . 9.5 mm-40 -61.37 -41.58 97.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' B' ' 19' ' ' ILE . 47.4 mt -61.95 -44.61 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.359 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.54 -40.85 96.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.821 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 17' ' ' ALA . 64.0 t -65.26 -33.73 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' B' ' 22' ' ' VAL . 54.5 t -64.44 -44.33 97.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.314 . . . . 0.0 110.481 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.9 -34.02 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.933 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 11.1 tp10 -61.07 -44.38 97.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.791 0.329 . . . . 0.0 110.392 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 21' ' ' VAL . 61.1 mttm -61.58 -24.02 66.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.274 0.559 . . . . 0.0 110.586 176.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' ND1' ' HG ' ' B' ' 15' ' ' LEU . 57.1 m170 -84.86 -30.87 24.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.548 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 57.4 40.66 27.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.632 0.729 . . . . 0.0 109.966 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -78.44 137.29 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.676 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 18.4 Cg_exo -67.01 167.72 19.15 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.216 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -51.08 -40.31 58.09 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.491 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 35' ' ' MET . 4.8 m-20 -55.23 -66.1 0.47 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.124 0.488 . . . . 0.0 110.911 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.54 -30.09 71.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.284 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 37' ' ' LEU . 23.2 t -63.06 -51.36 67.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.263 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.73 -38.05 89.66 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.456 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 91.8 mmm -61.08 -41.87 97.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.527 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.22 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -57.02 -48.51 78.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.15 87.34 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.191 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -78.05 -46.54 20.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.59 -0.359 . . . . 0.0 111.656 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.1 p -66.08 -38.29 87.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.215 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG22 ' HB3' ' B' ' 37' ' ' LEU . 97.4 t -63.47 -48.19 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.504 ' OG1' ' HG ' ' B' ' 65' ' ' LEU . 42.9 m -63.14 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.646 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.55 -28.02 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.9 mt -63.91 -59.34 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.691 0.281 . . . . 0.0 110.897 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.5 -7.46 57.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 111.174 -178.673 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -38.57 36.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.157 0.503 . . . . 0.0 110.362 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -97.71 -19.84 17.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.196 -172.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -115.77 -7.3 12.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 59.2 t -123.34 129.0 25.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.791 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.94 150.47 37.78 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.153 2.569 . . . . 0.0 111.908 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -39.81 72.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -60.13 -36.47 77.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 57' ' ' VAL . 49.1 m -97.45 -15.43 20.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.129 0.49 . . . . 0.0 110.876 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG2' HG13 ' B' ' 69' ' ' VAL . 33.3 ttm180 -57.58 -39.81 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.216 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.09 -38.36 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.586 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.21 65.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.547 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 53' ' ' SER . 98.7 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.292 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.16 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.9 -49.94 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.56 -35.2 80.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.59 -44.12 75.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.164 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.36 -46.43 88.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.56 88.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.01 -50.79 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.341 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.38 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.397 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.43 -32.69 73.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.468 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -66.42 -37.72 85.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.377 . . . . 0.0 110.333 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.65 -40.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.036 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 177.725 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.676 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.194 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.26 -56.01 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.048 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 16' ' ' ILE . 50.7 t -60.52 -43.97 95.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.611 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.68 -43.19 89.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 35.4 t -62.64 -39.56 94.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.33 . . . . 0.0 110.43 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.635 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.8 mp -63.69 -49.27 73.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.265 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 12' ' ' VAL . 37.1 mm -54.74 -48.81 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.528 0.518 . . . . 0.0 110.894 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -54.56 -49.06 71.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.465 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 31.6 mt-10 -65.56 -34.24 77.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' A' ' 19' ' ' ILE . 21.2 mt -69.79 -38.23 75.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.397 0.618 . . . . 0.0 109.769 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 87.4 mt -67.96 -33.19 74.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.768 175.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 17' ' ' ALA . 54.1 t -61.18 -37.42 77.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.298 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 22' ' ' VAL . 76.7 t -59.69 -53.76 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.174 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.01 -52.13 46.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.373 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.97 -37.77 88.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.84 -22.75 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 77.1 m80 -106.03 6.46 31.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.62 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.41 45.1 23.32 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 111.312 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.55 120.43 74.15 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.03 171.13 7.93 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.642 2.228 . . . . 0.0 111.569 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -57.92 -38.29 75.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.78 -52.78 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.826 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.577 HD11 HG22 ' A' ' 12' ' ' VAL . 28.7 tp -69.41 -30.79 68.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.692 -176.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -53.19 58.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.63 -39.16 87.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 110.533 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.76 -51.76 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.21 70.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.698 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mm? -63.47 -36.6 84.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.032 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.34 -51.45 57.97 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.089 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.53 -31.24 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 t -61.83 -46.19 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 37' ' ' LEU . 52.1 t -61.3 -50.51 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -38.28 81.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.019 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.88 -37.24 84.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.6 mt -66.97 -48.87 67.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.72 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 75.0 mt -61.7 -38.58 88.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.081 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.23 -35.47 77.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.074 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.64 -42.7 9.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.595 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 48' ' ' LYS . 63.9 mmtt -82.98 -43.76 16.03 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.54 130.45 23.23 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.31 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.15 148.4 40.34 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.047 2.498 . . . . 0.0 112.2 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -47.25 -44.42 22.87 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.1 pm0 -69.26 -44.31 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.207 -0.308 . . . . 0.0 111.028 -176.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . 23.8 t -74.56 -28.53 60.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 31.1 ttm180 -54.08 -45.44 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.197 175.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -68.14 -39.18 82.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.9 86.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' SER . 65.8 t -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.334 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.18 96.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.67 -46.85 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.342 0.591 . . . . 0.0 110.699 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.41 -30.0 53.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.986 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.72 -51.67 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.094 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -61.59 -34.12 75.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -69.02 -37.96 78.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.891 178.589 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.61 95.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' OG1' ' A' ' 42' ' ' THR . 9.8 mp -63.1 -48.79 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.585 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.7 89.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.3 -38.69 88.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.9 t -62.48 -47.27 84.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.428 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 54' ' ' ARG . 94.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -71.45 -26.2 62.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.998 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.699 178.048 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.2 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.39 -43.41 83.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.85 0.357 . . . . 0.0 110.186 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 m -60.19 -43.27 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.655 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -62.37 -49.16 76.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.678 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.9 t -58.82 -47.76 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.429 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.4 -42.38 95.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.318 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.5 t -62.84 -39.24 93.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -67.15 -41.71 85.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.801 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.7 mt -57.37 -47.48 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.6 -35.61 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.279 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.13 -49.08 66.08 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 110.28 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' B' ' 19' ' ' ILE . 51.0 mt -60.3 -37.44 73.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.77 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 76.3 mt -63.32 -40.55 97.62 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.14 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' ALA . 83.0 t -56.41 -44.11 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.92 0.39 . . . . 0.0 110.601 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' B' ' 22' ' ' VAL . 67.9 t -59.01 -46.13 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.489 HD11 HD21 ' A' ' 37' ' ' LEU . 95.2 mt -62.82 -41.6 99.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.688 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 45.1 mt-10 -59.71 -39.26 84.03 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -59.47 -29.13 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.658 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 28.9 m170 -83.43 -29.4 28.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.879 -177.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 56.27 46.27 21.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.619 0.723 . . . . 0.0 109.224 -170.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -77.75 136.44 63.09 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.107 -176.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 22.1 Cg_exo -65.83 164.11 28.22 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.736 2.291 . . . . 0.0 111.741 177.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.62 -37.69 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.328 0.585 . . . . 0.0 111.074 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.6 -45.58 86.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.575 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.21 -37.9 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.166 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.402 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.1 p -64.51 -48.04 76.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.865 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.45 -38.24 80.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.897 0.379 . . . . 0.0 110.594 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.19 -46.88 82.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.857 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' B' ' 41' ' ' VAL . 3.9 mm? -58.8 -44.75 90.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.989 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -48.44 83.95 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.478 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.91 -37.71 88.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.1 t -61.36 -53.42 56.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' B' ' 37' ' ' LEU . 84.5 t -57.87 -45.29 87.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 m -62.92 -39.85 95.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -72.95 -28.69 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 97.4 mt -68.9 -44.9 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.37 -25.78 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.386 177.173 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -72.45 -49.29 34.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -90.55 -42.04 11.04 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -169.753 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.82 -7.06 47.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 46.5 t -123.42 124.57 26.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.613 0.244 . . . . 0.0 110.915 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.08 150.0 86.42 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.031 2.487 . . . . 0.0 112.009 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 p -49.77 -43.61 48.25 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.15 -47.81 71.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -90.3 -12.27 38.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.385 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -61.58 -39.79 92.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.433 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HA ' HG11 ' B' ' 69' ' ' VAL . 34.4 tt0 -77.26 -35.48 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.25 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.552 ' HB ' HD21 ' A' ' 45' ' ' LEU . 90.3 t -66.87 -36.33 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.04 79.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.3 -53.96 52.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.016 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.95 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.341 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.27 -46.68 87.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.19 -40.83 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.119 0.485 . . . . 0.0 111.3 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -75.71 -35.81 60.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.733 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.5 -36.16 82.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.37 -49.9 76.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.177 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.46 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.025 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.45 -30.59 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 m -66.27 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.238 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.21 -29.95 38.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.573 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.261 -178.048 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -60.07 -35.03 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -70.99 -22.62 62.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -76.18 -52.39 10.16 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.61 -46.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.244 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.9 -43.62 98.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.451 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 35.7 t -56.21 -51.79 66.77 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.55 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.9 mp -57.56 -54.01 51.7 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 87.6 mt -54.74 -47.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -64.57 -43.12 94.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.282 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 12.8 pt-20 -77.84 -22.83 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.263 -173.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' A' ' 19' ' ' ILE . 65.3 mt -73.79 -34.89 41.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.6 mt -64.39 -37.0 85.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.933 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 17' ' ' ALA . 69.5 t -58.05 -40.2 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.404 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 22' ' ' VAL . 45.0 t -55.03 -56.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.23 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.675 HD11 HD21 ' B' ' 37' ' ' LEU . 94.9 mt -57.1 -51.91 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.404 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.09 -28.69 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -68.81 -27.34 65.77 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.981 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -110.06 6.17 22.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 110.004 170.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tttp 44.13 43.93 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.975 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 127.8 3.03 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.826 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.56 168.36 4.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.304 2.669 . . . . 0.0 112.703 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -58.24 -51.93 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.555 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.95 -50.42 73.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.74 -38.76 82.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.927 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.2 m -61.68 -49.79 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.426 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.17 -39.19 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 91.8 mtp -64.49 -51.07 64.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.43 76.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.04 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.675 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.3 -44.34 91.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.368 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.55 -47.02 92.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.437 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.04 -29.33 67.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.568 0.223 . . . . 0.0 110.673 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.44 -46.44 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.719 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 37' ' ' LEU . 80.3 t -58.22 -45.01 89.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.005 0.431 . . . . 0.0 110.238 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.8 m -66.31 -39.55 89.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.456 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -58.42 -37.83 76.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.128 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 95.8 mt -64.01 -47.24 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.797 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 84.6 mt -62.38 -41.92 99.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.46 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 42' ' ' THR . 8.5 mm-40 -57.94 -52.64 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -102.11 6.07 40.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -169.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' B' ' 44' ' ' LEU . 72.9 mmtt -120.14 -50.34 2.26 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.938 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 t -97.08 133.05 24.6 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.865 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.39 141.71 89.21 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.748 2.299 . . . . 0.0 111.046 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -49.53 -39.02 32.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.966 0.506 . . . . 0.0 112.338 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.5 mp0 -59.58 -51.49 69.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.446 ' O ' HG23 ' B' ' 57' ' ' VAL . 20.5 t -77.99 -27.07 48.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.211 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.797 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 37.1 ttm180 -53.21 -49.61 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.09 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.14 -44.22 97.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.323 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.44 97.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.824 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 53' ' ' SER . 96.7 t -65.41 -44.85 94.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.345 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.12 82.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.04 -36.96 78.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.255 0.55 . . . . 0.0 110.158 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.56 -46.56 82.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.285 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -58.04 -41.83 84.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.49 -52.11 65.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.72 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.46 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.05 -54.34 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.125 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -63.86 -39.19 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.386 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.14 -39.38 82.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.583 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.1 m -65.12 -39.55 93.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.362 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.501 HG11 ' HA ' ' A' ' 55' ' ' GLN . 49.1 t -71.99 -34.87 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.855 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 68.5 mttm -61.7 -43.05 99.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.743 177.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 -176.672 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.05 -31.76 71.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.924 0.392 . . . . 0.0 110.357 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -60.56 -44.59 95.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.708 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -66.0 -44.95 83.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.779 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.1 -48.37 84.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.17 -38.11 78.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -62.17 -43.98 97.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.589 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.9 tt -60.71 -47.51 85.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.683 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.3 mt -59.13 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.17 -39.99 84.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.66 -47.99 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.153 0.502 . . . . 0.0 110.336 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' LEU . 8.0 mt -64.59 -37.04 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.325 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 89.1 mt -66.12 -36.75 83.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.939 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 73.7 t -59.08 -44.11 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.352 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' B' ' 22' ' ' VAL . 87.6 t -63.81 -35.15 72.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.157 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.78 -41.13 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -66.45 -34.23 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.211 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 71.0 mmtt -58.15 -43.27 87.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.541 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -99.82 -14.21 18.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 56.72 71.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.36 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.81 124.14 69.54 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.361 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.02 171.08 6.57 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.433 2.089 . . . . 0.0 111.784 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.7 m -53.91 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 0.0 110.96 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.1 -51.15 70.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.82 -38.73 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.774 -176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m -63.02 -45.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.086 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 30' ' ' THR . 94.0 mt -60.81 -41.11 95.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 0.0 110.74 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.51 -45.64 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.997 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mm? -59.6 -50.24 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.98 -45.47 95.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.842 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.39 -34.88 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 0.162 . . . . 0.0 111.064 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 47.0 t -68.23 -35.06 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.659 0.266 . . . . 0.0 110.574 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 67.9 t -63.68 -48.79 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -63.6 -38.83 92.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.373 0.606 . . . . 0.0 109.937 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' ND1' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t-80 -48.54 -54.16 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.442 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.633 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 6.8 mt -72.83 -26.13 61.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.522 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 49' ' ' VAL . 88.2 mt -65.95 -44.83 83.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.915 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -79.46 -8.46 59.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.562 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -107.77 -52.04 2.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -115.64 13.14 16.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 45' ' ' LEU . 50.3 t -123.63 131.58 24.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 Cg_endo -50.55 145.36 22.58 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.119 2.546 . . . . 0.0 112.106 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 m -51.29 -56.63 11.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -169.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.62 -13.97 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.892 0.377 . . . . 0.0 111.411 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 45.7 t -86.27 -24.04 26.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.12 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 98.6 mtt180 -53.97 -48.16 70.62 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.881 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -38.33 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.976 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -62.28 -52.16 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.692 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.7 -38.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.38 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.18 83.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 75.0 mm-40 -60.89 -49.75 76.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 96.8 mt-30 -58.39 -52.74 64.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.13 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -61.42 -44.78 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.29 97.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 59' ' ' GLU . 37.4 mttm -74.37 -35.22 63.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.604 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.09 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.584 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.32 -49.28 74.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.553 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.34 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.935 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 6.3 tp60 -65.23 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.78 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -64.74 -35.36 80.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.834 0.35 . . . . 0.0 110.282 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.01 -42.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.575 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 -178.603 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.446 -0.669 0 CA-C-O 120.903 0.383 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.53 -25.57 68.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.27 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -63.72 -38.7 92.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.26 0.552 . . . . 0.0 110.181 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.63 -50.13 59.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.363 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.424 ' O ' HG13 ' B' ' 16' ' ' ILE . 25.8 t -62.76 -43.05 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.13 -45.11 79.68 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -62.27 -41.01 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 tp -65.25 -45.29 85.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.369 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.44 HG22 HD22 ' B' ' 20' ' ' LEU . 88.0 mt -61.06 -43.57 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.658 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.602 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -58.0 -41.68 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.89 -45.71 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 9.4 pt -70.27 -29.97 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.885 0.374 . . . . 0.0 110.709 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.44 HD22 HG22 ' B' ' 16' ' ' ILE . 5.6 mp -69.4 -39.32 78.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 176.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 17' ' ' ALA . 70.0 t -56.46 -44.68 80.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' A' ' 22' ' ' VAL . 61.9 t -60.13 -53.05 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.4 ' HA ' ' ND1' ' B' ' 26' ' ' HIS . 94.7 mt -60.03 -43.02 95.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.7 -16.95 60.09 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.588 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' B' ' 21' ' ' VAL . 93.9 mttt -72.88 -15.53 61.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.222 0.534 . . . . 0.0 109.764 169.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.435 ' CE1' HG12 ' B' ' 22' ' ' VAL . 13.4 m170 -92.32 -22.99 19.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.813 173.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 tttt 50.56 62.38 2.72 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.113 -165.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD2' ' B' ' 29' ' ' PRO . . . -76.52 118.23 70.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.816 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 36.9 Cg_endo -66.19 164.05 29.37 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.603 2.202 . . . . 0.0 110.932 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -44.37 48.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.395 0.434 . . . . 0.0 111.645 -176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.31 -58.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.937 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.39 -30.98 66.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -71.55 -48.6 47.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.684 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.19 -34.73 77.0 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.2 tpp -59.93 -51.17 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.28 72.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.4 mm? -59.96 -47.14 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.376 -178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.53 -43.01 96.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.099 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 30.6 m-80 -69.01 -31.22 69.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.587 0.232 . . . . 0.0 111.281 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 16' ' ' ILE . 76.6 m -70.34 -33.06 71.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.538 0.209 . . . . 0.0 110.756 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 37' ' ' LEU . 58.1 t -68.02 -47.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.844 0.354 . . . . 0.0 110.366 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -69.19 -37.25 78.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.761 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.0 OUTLIER -54.13 -30.66 49.81 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.309 177.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.403 ' HG ' ' CE1' ' B' ' 43' ' ' HIS . 66.9 mt -85.98 -44.61 12.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 110.64 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 35.3 mt -61.72 -35.51 78.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.24 -178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.87 -38.21 19.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -39.12 17.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 10.4 mmpt? -98.46 -37.52 9.56 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.784 -173.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 26.9 t -96.26 131.3 28.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.726 0.298 . . . . 0.0 111.03 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.518 ' HB2' ' OE1' ' B' ' 52' ' ' GLU . 22.1 Cg_exo -65.28 150.29 87.52 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 111.435 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' B' ' 54' ' ' ARG . 3.5 m -54.39 -40.26 68.04 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -170.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -66.28 -50.09 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.425 0.631 . . . . 0.0 110.004 -178.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.422 ' O ' HG23 ' B' ' 57' ' ' VAL . 9.8 m -70.74 -25.49 62.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' B' ' 51' ' ' SER . 37.7 ttm180 -57.53 -44.43 85.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.811 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.93 -42.81 89.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.959 0.409 . . . . 0.0 110.712 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.65 -45.77 88.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.12 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 53' ' ' SER . 97.4 t -66.85 -40.95 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.798 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.87 -37.11 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.148 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -67.66 -39.56 84.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.513 . . . . 0.0 109.939 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.88 -46.43 89.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.15 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.88 79.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -60.24 -57.23 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.922 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.07 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 111.246 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.33 -62.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.585 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -66.38 -32.38 73.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.838 -173.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.57 -34.75 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.539 0.209 . . . . 0.0 110.437 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 69.4 m -64.67 -38.52 91.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.18 -42.06 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.925 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 63.6 mttp -62.48 -44.3 96.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.112 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.736 179.572 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -57.59 -39.41 76.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.826 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -55.27 -38.96 69.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.748 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.492 HE22 HD22 ' A' ' 15' ' ' LEU . 17.7 tm0? -67.85 -57.35 6.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.17 -44.68 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.114 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.22 -47.51 84.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -70.66 -34.58 72.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.489 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 19' ' ' ILE . 45.5 tp -60.88 -53.25 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.087 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.09 -46.13 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.32 -46.21 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.67 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -69.63 -30.86 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -61.86 -45.15 99.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.69 0.757 . . . . 0.0 109.015 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.72 -35.77 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.623 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.6 t -57.85 -41.12 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 177.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.26 -54.21 38.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.617 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.11 -44.65 79.29 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.763 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -72.29 -32.38 66.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.255 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.34 -32.65 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -87.9 -0.05 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.133 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt 44.14 49.26 7.63 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.333 1.021 . . . . 0.0 111.098 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.28 132.42 86.07 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.724 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HD2' HD23 ' A' ' 32' ' ' LEU . 46.9 Cg_exo -57.23 162.05 10.25 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.442 2.095 . . . . 0.0 111.157 173.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -54.95 -45.03 74.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.94 0.4 . . . . 0.0 111.202 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.55 -32.81 70.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.465 -178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 47.6 tp -73.9 -39.89 63.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.686 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -60.31 -45.48 93.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.187 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.03 -37.58 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.904 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 tpp -61.23 -60.18 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.69 80.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 0.0 111.258 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' B' ' 41' ' ' VAL . 11.2 tp -66.19 -47.94 72.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.321 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.61 95.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 14.1 m120 -58.69 -50.55 73.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 174.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.29 -47.9 83.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.1 t -56.59 -50.55 73.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.536 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.454 ' OG1' HD22 ' B' ' 65' ' ' LEU . 3.1 m -78.86 -28.68 44.25 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' HD21 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -70.94 -23.48 62.25 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.162 0.505 . . . . 0.0 110.637 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 43.8 mt -75.83 -32.81 59.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.882 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.51 -36.08 73.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.011 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' ' HG3' ' A' ' 47' ' ' ARG . 35.7 mt-10 -59.77 -57.64 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.771 0.796 . . . . 0.0 111.735 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.57 ' HG3' ' HB2' ' A' ' 46' ' ' GLU . 11.8 mtt-85 -105.64 -3.03 22.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.22 -160.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 40.8 mmtm -111.06 -24.57 10.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.021 0.438 . . . . 0.0 110.514 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.48 135.29 24.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.568 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 34.8 Cg_exo -61.55 150.33 85.83 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.498 2.132 . . . . 0.0 112.124 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -46.67 -42.44 16.46 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.55 -43.23 81.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.4 t -82.29 -14.85 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.3 mtt180 -55.01 -48.14 73.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.793 0.33 . . . . 0.0 110.684 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 29.5 tt0 -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.797 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.09 74.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.06 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.37 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.44 69.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 29.5 mt-10 -68.33 -44.63 74.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.392 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.56 -37.22 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 111.102 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.13 -46.39 77.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.219 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 62' ' ' ALA . . . -61.11 -40.46 93.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 94.8 mttt -64.35 -47.95 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.93 -35.89 77.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 41' ' ' VAL . 10.6 tp -62.47 -54.45 39.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.12 82.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.092 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.42 -36.18 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.987 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.6 m -62.19 -36.79 82.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.337 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.57 -48.61 71.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.263 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.029 178.537 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -57.0 -39.33 74.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.022 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -70.16 -31.95 69.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.315 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.27 -52.01 45.96 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 37.4 t -56.68 -44.15 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.267 0.556 . . . . 0.0 110.17 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.48 -41.75 99.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.701 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t -66.25 -38.6 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' B' ' 19' ' ' ILE . 7.2 mp -60.02 -58.03 10.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.579 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -50.77 -45.59 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 123.568 0.543 . . . . 0.0 111.335 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.38 -47.18 87.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.815 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.94 -33.68 64.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.314 . . . . 0.0 111.252 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.582 HG23 HG23 ' A' ' 19' ' ' ILE . 60.4 mt -64.82 -36.1 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 43' ' ' HIS . 77.9 mt -65.4 -34.82 79.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.622 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 17' ' ' ALA . 83.4 t -57.66 -43.26 83.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.315 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -49.14 68.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.345 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 95.2 mt -51.72 -45.24 63.53 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.47 174.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.75 -30.73 61.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -57.83 -44.59 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.7 -0.63 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 2.3 ttpm? 48.5 70.36 0.46 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.897 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.44 123.2 57.31 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.219 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.42 173.02 5.76 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.793 2.329 . . . . 0.0 111.044 172.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -56.1 -45.02 79.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.99 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -43.43 85.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 tp -79.86 -37.15 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.127 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 12.2 p -69.49 -43.05 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.2 -37.67 86.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.652 0.263 . . . . 0.0 110.506 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -61.82 -47.22 86.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.423 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -57.73 11.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 41' ' ' VAL . 66.0 mt -56.02 -41.47 74.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.667 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.24 87.59 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -73.79 -31.2 63.17 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.784 -0.245 . . . . 0.0 110.476 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -62.3 -50.31 72.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.695 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.3 t -58.34 -49.04 83.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -70.27 -33.02 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.047 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' B' ' 47' ' ' ARG . 52.1 t60 -71.17 -31.04 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.14 -37.88 78.51 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.223 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.421 ' HB3' ' HD3' ' B' ' 54' ' ' ARG . 82.4 mt -59.58 -55.17 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.727 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.33 -6.43 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.762 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 43' ' ' HIS . 1.4 tmt_? -95.99 -61.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.445 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -104.91 -24.1 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 40.8 t -91.65 131.14 36.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.546 0.212 . . . . 0.0 111.03 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 49' ' ' VAL . 17.1 Cg_exo -68.11 139.68 47.29 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.77 2.314 . . . . 0.0 112.05 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.692 ' HA ' ' HB2' ' B' ' 54' ' ' ARG . 14.9 m -39.72 -39.05 0.71 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.23 -37.65 88.22 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.1 -0.375 . . . . 0.0 111.729 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 57' ' ' VAL . 7.0 t -96.53 -13.36 23.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HB2' ' HA ' ' B' ' 51' ' ' SER . 12.7 tpp85 -43.23 -64.19 0.68 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.13 0.972 . . . . 0.0 111.41 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.25 -30.17 62.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.941 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -37.46 82.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 53' ' ' SER . 75.1 t -68.7 -41.79 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.85 73.52 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.913 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -65.26 -46.16 81.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.215 179.286 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.26 -35.58 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' B' ' 65' ' ' LEU . 57.9 t80 -60.11 -45.84 91.62 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.47 0.653 . . . . 0.0 109.655 176.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -60.39 -37.53 81.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.118 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 67' ' ' GLN . 65.2 mttm -56.5 -48.72 76.58 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.08 78.38 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.461 HD11 ' CE2' ' B' ' 61' ' ' PHE . 0.6 OUTLIER -69.84 -43.85 71.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.068 -177.397 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.79 88.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.615 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 96.6 mt-30 -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.279 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -68.22 -40.98 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.055 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.44 -42.19 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.32 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -69.39 -33.63 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.155 0.502 . . . . 0.0 110.812 177.767 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -61.15 -38.55 86.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.189 0.305 . . . . 0.0 111.087 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -60.92 -32.35 71.85 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -77.38 -34.29 54.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.169 0.509 . . . . 0.0 109.706 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 16' ' ' ILE . 59.2 t -69.66 -43.78 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.863 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.06 -50.48 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 p -63.71 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.282 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' B' ' 26' ' ' HIS . 3.6 mp -70.1 -48.96 55.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.709 175.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 12' ' ' VAL . 85.0 mt -54.8 -40.29 51.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.107 177.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.36 -52.02 64.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.008 176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -56.07 -45.6 79.25 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.885 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' B' ' 19' ' ' ILE . 39.1 mt -64.2 -45.3 96.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.851 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.58 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.612 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 49.5 t -58.69 -41.96 83.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' B' ' 22' ' ' VAL . 93.3 t -58.94 -48.71 85.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 120.866 0.365 . . . . 0.0 110.588 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD11 HD21 ' A' ' 37' ' ' LEU . 92.5 mt -58.54 -34.45 71.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.365 175.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -71.26 -45.64 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 29.9 mtpp -56.06 -45.24 79.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.426 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.83 -4.37 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 pttm 36.01 72.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.277 0.986 . . . . 0.0 112.08 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.96 75.72 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.732 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.99 163.46 25.41 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.566 2.177 . . . . 0.0 111.51 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.6 m -53.99 -46.28 71.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 35' ' ' MET . 6.0 m-20 -58.17 -54.53 45.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 110.368 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 tp -62.65 -33.33 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB3' HD13 ' B' ' 44' ' ' LEU . 44.9 m -61.15 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.606 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.346 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 90.4 mmm -62.61 -45.86 90.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.96 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.14 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -59.82 -36.86 77.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.524 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.13 78.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.499 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -73.99 -17.79 60.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.631 0.253 . . . . 0.0 111.127 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' B' ' 16' ' ' ILE . 92.8 m -66.43 -46.33 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.73 -45.7 90.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -40.11 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.101 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.42 -34.01 73.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.662 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 98.4 mt -64.96 -48.06 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 82.0 mt -55.3 -48.59 73.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.617 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.21 -62.33 1.96 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.334 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 14.4 mmt180 -105.21 6.54 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -167.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 14.5 mptt -117.86 -24.33 7.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 172.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.5 t -113.75 135.84 22.01 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.391 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.4 Cg_endo -55.02 151.3 34.63 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.873 2.382 . . . . 0.0 112.43 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -50.61 -54.14 25.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.5 -29.5 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 0.0 111.281 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -80.72 -24.58 38.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 93.9 mtt180 -54.87 -44.74 74.31 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.04 -47.72 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.35 80.93 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.512 -176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.85 -36.64 70.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.675 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -48.37 81.6 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.571 0.224 . . . . 0.0 110.46 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.58 -53.71 35.29 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.876 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.76 -51.52 58.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.435 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -60.97 -44.25 97.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.241 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.85 94.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.05 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.26 -24.4 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.528 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.03 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.937 0.399 . . . . 0.0 110.065 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.6 tp -62.33 -51.16 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.69 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.868 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.91 -48.8 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.157 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 m -63.86 -40.49 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.1 t -68.8 -31.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 4.7 ttmp? . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -58.26 -33.18 69.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.885 0.374 . . . . 0.0 110.08 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -61.3 -48.03 83.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.089 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -60.84 -49.84 75.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.135 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.408 ' O ' HG13 ' B' ' 16' ' ' ILE . 46.4 t -61.71 -49.14 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.85 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.645 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.8 m -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.768 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 19' ' ' ILE . 40.6 tp -65.36 -45.52 83.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 110.281 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 40' ' ' CYS . 82.4 mt -56.32 -42.65 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.942 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.81 -41.3 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' B' ' 14' ' ' SER . 13.2 mm-40 -53.64 -48.48 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.43 0.633 . . . . 0.0 110.402 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -68.2 -44.08 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.891 -177.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.1 mt -61.12 -40.0 92.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.658 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.1 t -58.99 -41.37 83.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' A' ' 22' ' ' VAL . 70.2 t -54.94 -51.99 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.721 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.777 HD11 HD23 ' B' ' 37' ' ' LEU . 98.7 mt -61.55 -55.09 34.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.048 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.04 -23.13 61.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.06 -48.13 82.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 15' ' ' LEU . 9.1 p80 -96.19 4.62 52.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.417 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 78.7 tttt 67.09 44.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.404 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' NE2' ' B' ' 26' ' ' HIS . . . -53.08 114.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 171.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.09 159.74 33.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -51.58 -42.45 61.91 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.451 0.469 . . . . 0.0 112.207 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -36.31 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.205 0.526 . . . . 0.0 110.646 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 tp -84.07 -34.38 24.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.926 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 23.7 p -68.76 -47.15 66.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 0.0 110.608 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.7 -39.73 94.93 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.491 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.4 tpp -60.11 -52.14 66.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.99 -49.06 76.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.777 HD23 HD11 ' B' ' 23' ' ' LEU . 0.2 OUTLIER -62.29 -44.77 95.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -177.458 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -45.04 93.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.363 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -68.55 -32.71 72.83 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.954 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 75.0 m -67.2 -47.7 70.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.478 0.18 . . . . 0.0 110.936 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 37' ' ' LEU . 91.1 t -57.14 -45.03 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.561 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -69.45 -37.74 77.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.549 ' HA ' ' OE2' ' B' ' 46' ' ' GLU . 41.5 t60 -64.82 -32.51 74.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.196 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 33' ' ' SER . 94.5 mt -67.2 -38.38 85.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.101 0.477 . . . . 0.0 110.002 177.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.86 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 87.2 mt -64.89 -28.78 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.11 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 43' ' ' HIS . 45.2 mt-10 -65.16 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 111.946 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -89.26 -23.19 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -167.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -96.8 -23.29 16.46 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.789 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -120.43 130.03 25.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.887 0.375 . . . . 0.0 111.033 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.32 143.56 99.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 111.382 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 m -47.69 -38.65 15.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' B' ' 53' ' ' SER . 1.5 pm0 -66.75 -52.81 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 111.157 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.481 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 36.5 m -70.93 -26.65 63.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.113 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.86 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 39.9 ttm180 -53.66 -48.48 69.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -77.53 -29.58 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.86 79.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' SER . 92.4 t -63.88 -34.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.325 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.3 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.71 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 61.5 mm-40 -59.9 -47.6 85.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.83 -39.94 90.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.912 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.89 -44.69 96.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.448 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.55 79.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.003 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 70.3 mmtt -64.51 -49.82 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.072 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.53 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.467 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.38 -44.85 93.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.712 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.63 -42.32 98.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.67 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 7.3 p -65.55 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.38 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -75.78 -47.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 110.739 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.714 -171.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.75 -178.017 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.593 0.235 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -56.91 -56.32 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.098 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 15' ' ' LEU . 33.5 tt0 -65.24 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.331 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 HD11 ' B' ' 32' ' ' LEU . 60.9 t -63.22 -38.82 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.287 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.086 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -68.67 -33.79 74.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.616 0.246 . . . . 0.0 110.873 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 19' ' ' ILE . 8.9 mp -63.03 -51.84 65.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' B' ' 36' ' ' ALA . 74.5 mt -57.43 -46.29 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.33 -36.94 83.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.347 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -67.23 -39.49 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.69 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -60.73 -42.48 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.612 0.72 . . . . 0.0 109.688 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.82 -35.57 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.793 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.5 t -64.94 -34.73 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.679 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.547 ' CG2' HG21 ' B' ' 22' ' ' VAL . 49.1 t -57.76 -54.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 0.0 109.853 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD11 HD21 ' A' ' 37' ' ' LEU . 92.2 mt -56.07 -51.93 66.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.861 175.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.11 -31.39 72.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.1 -29.17 70.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.87 -1.19 38.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.209 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 35.0 tptt 55.85 42.93 28.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.178 -176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -65.85 122.74 82.36 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.225 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.2 Cg_exo -65.27 170.58 10.49 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.666 2.244 . . . . 0.0 111.518 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -54.04 -44.65 71.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.326 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.85 -47.11 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.549 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.83 -37.42 79.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.403 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 m -63.75 -54.25 38.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.804 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.15 -35.51 79.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.091 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.5 ttm -63.34 -53.96 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.36 79.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.662 HD21 HD11 ' A' ' 23' ' ' LEU . 3.9 mm? -61.64 -44.95 96.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.02 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -45.67 95.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.411 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.83 -36.14 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.0 t -62.78 -49.34 75.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 93.3 t -56.89 -42.33 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 110.623 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -65.78 -39.4 90.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.685 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.71 -24.11 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' B' ' 37' ' ' LEU . 95.4 mt -66.56 -32.8 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 0.0 109.921 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.44 -28.34 66.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.201 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.56 -5.76 51.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.292 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 25.8 ttt180 -87.04 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.197 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.807 ' HG2' ' HG2' ' A' ' 47' ' ' ARG . 32.7 mmmt -130.67 25.59 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -114.91 128.01 26.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.664 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.642 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -57.29 148.98 67.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.961 2.441 . . . . 0.0 112.037 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -53.58 -47.96 69.63 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.51 ' OE1' ' HB2' ' A' ' 50' ' ' PRO . 1.3 pm0 -72.04 -34.45 68.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.7 t -72.65 -28.49 62.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.257 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 99.3 mtt180 -53.35 -43.23 67.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.04 0.447 . . . . 0.0 110.562 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.46 -33.69 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -79.08 -33.91 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.647 0.261 . . . . 0.0 111.214 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' SER . 98.6 t -66.47 -37.93 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.958 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 17.3 tt0 -62.71 -53.73 49.99 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.931 174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 77.0 mm-40 -56.67 -42.46 79.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.15 -39.61 82.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.323 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.08 75.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.85 -43.84 94.94 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.54 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.87 92.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.81 -50.42 72.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.287 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.77 92.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.489 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -65.04 -38.67 91.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.349 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.469 . . . . 0.0 110.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.35 -48.38 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.007 -176.029 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -62.17 -40.32 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.198 0.523 . . . . 0.0 109.642 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.0 m -62.95 -33.84 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.718 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.99 -49.06 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 16' ' ' ILE . 43.5 t -69.33 -46.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.51 -45.79 91.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.835 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -68.59 -29.79 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.886 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.629 ' O ' HG13 ' B' ' 19' ' ' ILE . 57.5 tp -63.03 -50.39 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 12' ' ' VAL . 65.8 mt -58.5 -43.32 86.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.211 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.45 -41.83 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.448 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.629 HG13 ' O ' ' B' ' 15' ' ' LEU . 27.7 mt -61.48 -40.16 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 109.839 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.417 HD23 HD12 ' B' ' 23' ' ' LEU . 96.0 mt -65.15 -34.73 79.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.705 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 17' ' ' ALA . 85.3 t -62.85 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.232 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.547 HG21 ' CG2' ' A' ' 22' ' ' VAL . 86.1 t -60.07 -45.57 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.969 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 94.3 mt -50.04 -42.67 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.674 172.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.09 -15.25 51.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' B' ' 21' ' ' VAL . 29.9 mmmt -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 0.0 110.12 175.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -98.65 -15.85 19.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.44 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.76 77.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.725 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.12 124.6 40.94 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.376 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.03 169.27 10.77 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.461 2.107 . . . . 0.0 111.338 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 48' ' ' LYS . 19.9 m -51.03 -45.14 61.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 35' ' ' MET . 10.5 m-20 -58.18 -53.7 55.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.572 HD11 HG22 ' A' ' 12' ' ' VAL . 32.3 tp -68.33 -32.57 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.509 -176.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -46.78 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.141 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 30' ' ' THR . 95.7 mt -61.93 -35.99 80.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.62 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' B' ' 31' ' ' ASP . 87.6 mtp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -69.54 -57.72 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 44' ' ' LEU . 4.5 mm? -52.2 -43.63 64.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.138 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.21 91.91 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.51 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.28 -33.57 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.505 0.193 . . . . 0.0 110.782 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 83.9 m -61.6 -52.71 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.414 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.41 -44.7 89.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 21.3 m -61.52 -46.57 89.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.908 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -69.08 -27.82 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 87.6 mt -65.34 -49.87 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.481 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 83.5 mt -63.17 -37.51 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.704 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.38 -45.71 86.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.459 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -88.35 -42.82 11.95 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.544 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -88.65 -19.05 26.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 39.2 t -119.39 134.85 23.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.714 0.292 . . . . 0.0 111.324 -173.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 51.9 Cg_exo -57.06 153.07 40.61 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.427 176.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 27.3 t -48.61 -56.87 7.25 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.07 -39.72 93.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.578 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.437 ' HB2' HG12 ' B' ' 49' ' ' VAL . 5.5 m -70.11 -29.32 66.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.066 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.6 mtt180 -53.72 -50.36 66.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 177.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.58 -35.62 79.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.308 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.96 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 0.0 110.645 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.94 -40.12 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.31 89.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.692 0.282 . . . . 0.0 110.921 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 9.1 mm-40 -55.6 -56.02 25.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.032 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.45 -42.76 99.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.286 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.15 -47.28 85.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.61 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 42.8 mttm -70.78 -40.87 72.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.264 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.22 86.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 69' ' ' VAL . 17.8 tp -58.79 -55.2 38.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.123 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.88 -44.18 97.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.054 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -62.8 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 65' ' ' LEU . 72.1 t -61.46 -47.1 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 0.0 110.579 177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.988 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -178.697 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -65.69 -45.48 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.255 0.55 . . . . 0.0 109.736 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 p -71.45 -30.49 66.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.365 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 5.8 tp-100 -58.67 -47.34 84.81 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG22 HD11 ' B' ' 32' ' ' LEU . 35.2 t -68.72 -45.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.26 -55.28 36.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.688 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.6 p -62.44 -33.99 75.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 110.777 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' B' ' 23' ' ' LEU . 57.8 tp -59.96 -56.4 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.206 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' ILE . 75.6 mt -62.12 -38.3 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.684 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -47.27 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.223 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.53 -37.49 87.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 110.883 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' B' ' 19' ' ' ILE . 50.4 mt -59.2 -46.24 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.106 0.479 . . . . 0.0 110.083 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.86 -42.66 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.601 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.484 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 56.5 t -63.11 -38.21 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' B' ' 22' ' ' VAL . 55.1 t -66.1 -45.2 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.538 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 37' ' ' LEU . 94.8 mt -49.05 -53.31 20.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.648 171.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 11.4 pt-20 -76.67 -22.27 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 59.7 tttm -72.94 -28.65 62.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.019 0.438 . . . . 0.0 110.024 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.63 -2.44 44.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 59.02 70.67 0.63 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.738 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -94.31 120.05 65.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.05 178.23 2.02 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.67 2.247 . . . . 0.0 111.32 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -63.16 -38.66 92.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.118 0.485 . . . . 0.0 110.233 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.88 -48.88 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.574 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' B' ' 12' ' ' VAL . 36.6 tp -75.71 -38.5 58.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.87 -172.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -64.5 -48.07 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.547 0.213 . . . . 0.0 110.987 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.75 -43.64 94.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.117 0.484 . . . . 0.0 110.442 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 ttm -66.44 -43.89 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.339 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.81 22.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.018 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 23' ' ' LEU . 4.6 mm? -55.9 -43.98 77.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.55 -46.5 81.13 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.948 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.76 -30.19 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.16 -24.05 61.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.948 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -72.87 -50.42 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 177.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 p -66.47 -31.44 72.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.231 0.539 . . . . 0.0 110.16 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -54.0 -32.11 53.11 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.26 174.432 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 32.0 mt -87.11 -38.72 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.018 0.437 . . . . 0.0 110.538 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 72.8 mt -60.4 -46.24 90.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.701 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 29.4 mt-10 -87.25 2.29 50.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.996 -177.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -94.24 -51.56 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.619 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -114.34 -28.66 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -89.56 127.85 53.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.663 0.268 . . . . 0.0 111.311 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.52 149.0 92.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.503 2.135 . . . . 0.0 111.404 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -53.6 -36.73 62.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.7 -52.09 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.776 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.3 m -77.65 -20.54 53.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.733 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 37.4 ttm180 -56.25 -38.88 71.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.33 -37.16 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.731 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.42 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 53' ' ' SER . 99.5 t -61.4 -39.61 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 178.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.26 93.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.917 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.08 -44.25 97.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.774 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.18 -31.84 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.696 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.93 -44.23 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.5 88.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.735 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -61.6 -40.7 95.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.483 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.53 94.64 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.387 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD22 ' OG1' ' B' ' 42' ' ' THR . 4.7 mt -65.14 -46.93 78.93 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.94 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.206 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -61.22 -44.19 97.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.551 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.661 ' HB3' HG21 ' B' ' 42' ' ' THR . 23.1 t -70.54 -47.71 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 55' ' ' GLN . 78.6 t -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.42 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.725 -178.898 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -62.92 -25.55 68.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -35.67 81.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.001 0.429 . . . . 0.0 110.311 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -70.97 -42.19 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.683 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 16' ' ' ILE . 40.0 t -60.67 -49.42 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.959 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.36 -39.11 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -57.88 -42.66 85.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.817 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.731 ' O ' HG12 ' B' ' 19' ' ' ILE . 9.4 mp -73.63 -41.12 63.19 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.3 mt -53.58 -46.29 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 110.427 177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -66.15 -35.38 80.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.256 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.83 -44.64 63.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.858 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' A' ' 19' ' ' ILE . 7.2 mm -63.99 -34.32 67.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -49.29 74.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.463 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.638 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 93.0 t -56.01 -47.7 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.497 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.5 t -51.17 -60.52 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 O-C-N 123.38 0.425 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 15' ' ' LEU . 92.2 mt -51.84 -50.81 60.15 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.234 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -86.74 -0.64 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -170.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 47.2 mtmt -69.57 -43.82 72.1 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 167.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.608 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 8.3 mtmp? 65.72 41.23 4.03 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.135 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 134.5 95.9 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.04 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.2 169.12 12.73 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.585 2.19 . . . . 0.0 111.457 177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -56.68 -38.61 72.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -54.71 43.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.345 0.593 . . . . 0.0 110.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.62 HD11 HG22 ' A' ' 12' ' ' VAL . 39.6 tp -68.32 -31.15 70.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.078 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.438 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.0 m -61.0 -49.46 77.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.537 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.05 -38.39 88.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.451 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -60.93 -47.59 85.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.713 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.41 76.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 HD11 ' B' ' 23' ' ' LEU . 4.2 mm? -58.74 -48.95 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.93 -49.57 70.31 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.754 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -71.19 -32.34 68.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.768 -0.254 . . . . 0.0 111.201 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.47 -51.62 54.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.692 0.282 . . . . 0.0 110.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 37' ' ' LEU . 87.8 t -59.75 -44.09 93.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.042 0.449 . . . . 0.0 111.02 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 68' ' ' SER . 6.2 m -73.66 -21.16 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.733 -176.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -74.31 -28.93 61.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.34 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.78 -34.04 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.621 . . . . 0.0 109.433 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.557 HD23 HG21 ' B' ' 49' ' ' VAL . 87.8 mt -63.3 -32.74 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.736 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.22 -61.27 2.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -87.36 -31.02 20.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 19.7 tptm -103.54 -39.96 6.52 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.819 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.557 HG21 HD23 ' B' ' 45' ' ' LEU . 91.2 t -85.09 134.52 40.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.94 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 81.5 Cg_exo -49.15 141.96 22.11 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.142 2.562 . . . . 0.0 112.642 176.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -49.92 -52.09 35.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.598 -174.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.61 -35.92 75.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 0.0 111.116 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -70.71 -21.72 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.965 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 96.4 mtt180 -48.43 -45.34 36.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.427 ' HA ' HG11 ' A' ' 69' ' ' VAL . 52.2 mt-30 -59.29 -52.87 63.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 111.459 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.91 -32.42 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.08 -46.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.007 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.01 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.025 0.441 . . . . 0.0 110.373 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.601 ' HG2' ' HZ2' ' B' ' 63' ' ' LYS . 33.4 tt0 -63.1 -40.51 97.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.34 -38.93 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 110.429 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.74 -43.46 97.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.961 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.19 82.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.601 ' HZ2' ' HG2' ' B' ' 59' ' ' GLU . 58.1 mttp -62.64 -47.81 82.09 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.25 90.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.082 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 41' ' ' VAL . 19.5 tp -63.72 -50.41 69.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.145 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.77 79.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.711 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.97 -41.2 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.816 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.7 m -64.91 -36.22 83.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.74 -43.97 76.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.51 0.672 . . . . 0.0 110.277 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' B' ' 70' ' ' LYS . 8.6 ttmm -73.4 -16.43 61.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.736 -176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.743 179.806 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.742 0.306 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.88 105.99 14.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.409 . . . . 0.0 110.726 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.2 mt -118.65 98.68 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.381 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.404 ' CD ' ' H ' ' A' ' 4' ' ' GLN . 5.5 pm0 -79.66 120.66 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.241 0.543 . . . . 0.0 109.633 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -124.28 133.89 53.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.313 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -66.24 -44.73 82.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.831 0.824 . . . . 0.0 108.836 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -94.5 87.76 5.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.113 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 m -66.97 163.41 19.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.189 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -60.6 -30.81 70.06 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.42 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -63.51 -43.26 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.36 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.34 -51.41 67.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.156 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 8' ' ' SER . 28.0 t -59.67 -50.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.8 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.99 -39.12 91.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.781 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -69.38 -34.06 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.836 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.3 -45.07 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.4 mt -61.9 -44.42 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -75.16 -40.64 59.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.763 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 pt -71.09 -26.09 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.283 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 171.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.6 t -60.82 -38.52 79.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.091 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' B' ' 22' ' ' VAL . 97.4 t -61.21 -48.02 90.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 37' ' ' LEU . 98.8 mt -58.45 -49.37 77.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.396 176.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' LYS . 38.0 tt0 -71.01 -21.83 62.23 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.422 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -53.69 -35.34 61.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.339 0.59 . . . . 0.0 110.33 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 4.6 p80 -115.98 6.77 14.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.064 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 24' ' ' GLU . 14.3 ptmm? 35.42 49.63 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.489 1.118 . . . . 0.0 112.307 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.446 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.37 159.95 47.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 111.503 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.08 -46.6 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.726 -178.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -53.27 -50.68 64.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 44.5 tp -71.33 -34.65 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.862 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -65.86 -43.33 88.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.587 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.2 mt -60.72 -37.18 80.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.85 0.357 . . . . 0.0 110.223 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.54 -50.76 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.29 72.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -62.71 -43.62 98.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.3 -44.29 96.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -69.1 -30.43 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.776 -0.249 . . . . 0.0 110.789 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 50.2 t -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.648 0.261 . . . . 0.0 110.732 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.1 t -64.72 -52.12 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.937 175.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -63.33 -31.94 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.231 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.514 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -54.51 -42.35 70.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.031 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 25.6 mt -73.75 -32.89 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.675 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 97.2 mt -64.7 -51.9 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.323 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -71.04 -12.19 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.82 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -99.63 -59.9 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.352 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -95.1 -38.99 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -172.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 19.5 t -91.25 118.53 68.54 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.927 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -59.26 154.0 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 111.606 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 m -54.08 -40.57 67.33 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -37.77 77.82 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.585 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 m -80.57 -25.18 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.846 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.653 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 34.2 ttm180 -57.63 -35.58 70.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.131 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.1 -49.74 47.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.65 92.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.467 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 60' ' ' GLN . 88.0 t -63.45 -39.59 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.81 -42.15 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 13.1 pt20 -71.87 -33.57 68.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.536 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.32 71.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.16 -40.03 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.62 64.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.42 -47.73 84.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.75 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.856 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -79.27 -18.17 53.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.0 m -69.85 -41.05 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 61.8 t -69.49 -38.32 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.893 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.3 ttmt -71.88 -10.12 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.619 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -83.39 -42.32 17.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -77.65 -13.85 59.79 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.487 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 70' ' ' LYS . 93.6 mt -64.11 -59.05 4.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 68.18 -68.1 0.18 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.121 0.888 . . . . 0.0 112.242 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.2 p80 37.46 72.75 0.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.107 0.963 . . . . 0.0 112.486 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 72.57 -4.08 2.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.872 174.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 58.64 29.87 19.12 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -136.61 -86.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.54 . . . . 0.0 110.408 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 t60 177.0 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t60 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.294 172.248 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.018 0.437 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.71 75.29 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.799 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 tp -136.65 136.55 48.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.676 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -128.23 119.32 24.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -85.47 118.34 24.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -67.21 -40.25 86.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -146.14 171.74 14.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.34 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 34.3 t -86.29 125.45 33.61 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.94 -49.75 72.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -65.5 -32.55 74.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.514 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 56.8 tp60 -61.54 -56.3 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.264 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 48.0 t -61.05 -43.85 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.03 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.915 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.3 m -64.95 -35.32 80.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 26' ' ' HIS . 6.7 mp -61.41 -55.41 31.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -56.51 -48.11 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.152 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.614 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.99 -44.82 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.726 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.31 94.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.362 . . . . 0.0 110.759 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 15' ' ' LEU . 8.5 mt -67.65 -36.25 75.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.212 0.53 . . . . 0.0 110.04 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 38.6 mt -65.52 -37.83 87.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.133 177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.9 t -62.67 -35.97 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.613 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 22' ' ' VAL . 61.0 t -61.19 -46.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.257 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.23 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.03 -52.17 45.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' B' ' 21' ' ' VAL . 89.1 mttt -53.15 -48.45 67.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.007 -177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.68 -16.91 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.984 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? 53.83 73.33 0.39 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.827 0.704 . . . . 0.0 109.934 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.75 131.05 53.18 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.127 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.96 159.37 46.61 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.453 2.102 . . . . 0.0 111.037 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m -54.78 -40.99 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.02 -45.51 92.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.01 0.434 . . . . 0.0 110.746 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 12' ' ' VAL . 36.8 tp -69.08 -42.47 76.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.98 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' HD23 ' B' ' 37' ' ' LEU . 13.2 p -63.86 -42.58 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.163 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.82 -38.88 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.1 ttm -63.77 -46.78 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.957 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 41' ' ' VAL . 3.3 mm? -60.01 -49.12 78.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.29 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -47.31 90.4 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.716 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.51 -32.73 72.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.833 -0.216 . . . . 0.0 111.042 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 41.9 t -65.38 -47.41 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.542 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 94.3 t -60.0 -42.81 90.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.472 . . . . 0.0 110.433 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -68.11 -38.07 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.057 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.14 -27.5 68.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 92.1 mt -68.46 -40.09 81.17 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.312 0.577 . . . . 0.0 109.654 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.573 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.5 mt -65.84 -40.31 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.522 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.65 -10.97 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.714 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -99.42 -67.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 8.3 mmpt? -109.81 4.62 21.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -168.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.71 105.52 32.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.174 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.66 149.32 59.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 111.25 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -54.41 -33.47 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.31 0.244 . . . . 0.0 111.547 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.78 -48.86 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.779 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.5 m -85.44 -29.02 24.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.484 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 30.3 ttm180 -56.31 -37.38 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.36 -176.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.58 -44.55 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.747 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.6 -36.86 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' SER . 90.5 t -64.16 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 0.0 110.389 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.91 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.417 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.6 tm-20 -69.02 -39.84 79.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -60.21 -42.27 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.277 0.561 . . . . 0.0 109.778 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.68 -45.08 88.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.211 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.0 90.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 62.9 mttp -57.91 -59.8 4.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.93 81.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.84 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -175.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.37 92.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.641 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.06 -30.18 70.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.523 0.202 . . . . 0.0 111.085 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -66.25 -41.0 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.168 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.53 -49.64 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.088 0.47 . . . . 0.0 110.543 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -25.38 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.621 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -65.07 -19.5 66.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.054 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -94.4 -29.23 15.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.073 0.463 . . . . 0.0 110.537 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.46 -46.89 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.707 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.71 87.13 7.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.378 0.608 . . . . 0.0 111.254 -173.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -132.55 31.44 4.01 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -131.08 42.26 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.841 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -77.27 76.25 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.74 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -163.69 88.38 0.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.849 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -118.08 -0.53 11.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.239 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.184 176.33 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.587 0.232 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.92 -43.42 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.869 -0.15 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -62.77 152.05 7.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.578 0.227 . . . . 0.0 110.814 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -51.63 122.68 8.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.525 0.679 . . . . 0.0 111.775 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -104.79 12.06 33.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.427 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -81.53 103.68 11.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.754 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 75.22 -178.16 0.16 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.224 0.952 . . . . 0.0 111.268 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 47.9 t -164.43 141.0 6.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.575 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.25 -45.28 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.706 0.289 . . . . 0.0 110.494 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -62.81 -44.75 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.77 -58.28 8.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.2 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 8' ' ' SER . 61.6 t -61.05 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.74 -44.07 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -64.08 -37.92 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.734 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 19' ' ' ILE . 7.2 mp -63.37 -56.39 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.556 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.7 mt -51.59 -47.29 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 O-C-N 123.487 0.492 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.02 -50.18 74.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.218 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.41 -36.21 83.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.442 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.748 HG12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -59.47 -46.35 92.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.588 0.709 . . . . 0.0 109.43 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.95 -35.48 76.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.081 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.3 t -60.89 -37.74 77.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.328 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' B' ' 22' ' ' VAL . 79.5 t -61.61 -51.32 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.764 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -52.34 -51.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.642 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -72.57 -24.36 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 ttmm -64.84 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 109.902 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.9 -5.51 59.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.885 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm 58.82 44.15 17.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 124.65 91.04 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.197 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 162.66 13.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.469 2.112 . . . . 0.0 111.143 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.432 ' OG1' ' HE3' ' B' ' 48' ' ' LYS . 8.8 m -55.34 -39.68 70.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.132 0.492 . . . . 0.0 110.477 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 35' ' ' MET . 24.4 t70 -55.41 -49.52 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.678 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 59.2 tp -74.54 -40.99 61.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.741 -176.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 8.3 p -64.83 -39.4 93.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.881 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.583 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 65.1 mtt -59.8 -55.08 38.75 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.272 173.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.24 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.461 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.515 HD21 HD11 ' A' ' 23' ' ' LEU . 54.5 mt -66.74 -41.42 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.583 0.23 . . . . 0.0 110.741 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' CZ ' ' B' ' 61' ' ' PHE . . . -58.44 -48.41 84.2 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.21 -36.79 83.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 53.0 t -59.35 -55.91 28.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.54 -43.38 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 m -71.25 -29.37 65.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.933 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.04 -40.52 91.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.011 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 95.3 mt -61.33 -37.58 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 109.942 176.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 42' ' ' THR . 37.2 mt -60.46 -55.52 32.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.762 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 2.8 pp20? -77.34 -5.39 49.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.851 0.358 . . . . 0.0 111.838 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -90.47 -52.82 4.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.16 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 12.2 tmtt? -98.16 -38.29 9.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.329 -173.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -94.93 129.03 37.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 111.443 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.22 150.75 64.25 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.143 2.562 . . . . 0.0 111.904 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.3 m -47.9 -43.16 28.58 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -60.36 -59.15 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 110.885 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -75.08 -15.42 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.865 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.657 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 39.6 ttm180 -57.28 -40.15 77.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.133 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 27.1 mt-30 -71.91 -45.77 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -55.42 -50.46 69.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.446 -178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.83 -39.31 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . . . -58.93 -46.18 88.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 69.6 mt-10 -61.21 -50.48 72.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.225 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 78.3 mt-30 -55.39 -47.37 75.97 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.05 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.38 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.363 . . . . 0.0 111.177 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.15 -44.36 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.46 94.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.22 -54.94 41.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.103 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.219 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.95 -37.7 88.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 m -67.41 -35.8 80.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.6 -40.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -65.02 -45.37 85.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.697 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -63.93 -20.0 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -77.53 -23.09 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.958 0.408 . . . . 0.0 110.903 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.06 -63.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -110.19 115.82 30.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -81.43 -178.38 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.468 0.651 . . . . 0.0 112.353 -170.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -140.86 126.71 19.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.212 174.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -118.45 121.3 39.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.023 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -54.8 -51.22 66.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 172.04 -49.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.367 1.042 . . . . 0.0 109.147 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.586 179.061 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.803 0.335 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.94 99.33 2.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 tt -141.22 110.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.419 0.628 . . . . 0.0 110.083 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.475 ' CD ' ' H ' ' B' ' 4' ' ' GLN . 0.1 OUTLIER -91.14 -2.42 57.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.979 -179.389 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 59.48 54.86 4.4 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.195 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -75.63 89.16 2.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 5.9 m-85 59.02 -149.02 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.9 t -165.92 150.4 8.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -58.49 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 109.907 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.9 m -74.95 -39.82 61.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.214 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.41 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 22.1 tp60 -60.26 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.298 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.489 ' O ' HG13 ' B' ' 16' ' ' ILE . 48.9 t -67.01 -46.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.654 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.82 -42.28 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.752 0.31 . . . . 0.0 110.98 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.1 t -65.16 -34.9 79.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.384 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.558 ' O ' HG13 ' B' ' 19' ' ' ILE . 39.1 tp -66.48 -42.26 87.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 12' ' ' VAL . 73.2 mt -58.54 -45.79 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.07 0.462 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.598 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -57.84 -40.12 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.067 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 14' ' ' SER . 12.6 mm-40 -55.45 -48.05 75.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.254 0.549 . . . . 0.0 110.643 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 15' ' ' LEU . 5.3 mt -66.5 -37.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.604 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.41 -32.78 74.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.3 t -60.63 -47.06 94.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 22' ' ' VAL . 61.4 t -59.11 -58.01 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.8 mt -46.16 -58.32 3.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.07 -17.42 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -76.69 -20.6 56.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.23 0.538 . . . . 0.0 110.023 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -100.59 -5.77 26.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.931 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm 61.34 38.25 16.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.974 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.69 118.16 54.81 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.684 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.52 163.96 11.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.62 2.213 . . . . 0.0 111.751 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.488 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 20.6 m -56.66 -44.34 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.204 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.133 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -69.24 -41.33 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 110.29 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -61.96 -42.1 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.037 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.5 mt -59.77 -45.2 92.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.8 ttp -68.37 -40.24 81.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.025 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.515 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.6 mm? -54.75 -41.69 70.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.53 -42.73 94.15 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.803 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 29.1 m-80 -74.25 -27.09 60.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 82.6 m -66.37 -48.16 71.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.78 0.324 . . . . 0.0 110.374 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.8 t -61.26 -46.67 96.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.647 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -39.67 84.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.739 0.304 . . . . 0.0 111.467 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 42.3 t60 -57.86 -36.38 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.1 mt -81.98 -44.26 16.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.66 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 10.3 tt -60.53 -35.77 76.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.719 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.18 -46.75 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -90.61 -22.49 21.2 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.432 ' HE3' ' OG1' ' A' ' 30' ' ' THR . 28.9 mtpp -105.38 -12.26 16.1 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.202 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.66 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t -119.11 130.76 24.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.21 142.73 27.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.175 2.584 . . . . 0.0 112.611 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.0 t -50.48 -44.31 55.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.879 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -63.35 -25.62 68.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -101.58 -3.9 27.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.514 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -61.74 -46.94 87.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.577 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -67.7 -31.12 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -51.06 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.252 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.77 -36.66 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.546 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.56 92.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -65.66 -43.29 89.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.958 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.21 94.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.712 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.424 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 47.5 t80 -61.71 -50.65 71.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.07 97.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.273 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.4 ' N ' ' HE3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -65.23 -34.67 78.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 178.612 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.58 89.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.44 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.5 mt -65.46 -47.34 76.47 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.24 90.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.056 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 tm0? -62.91 -34.14 76.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -75.48 -23.22 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -95.32 -50.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.75 -21.07 61.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' B' ' 75' ' ' HIS . 12.9 p -66.38 -25.35 66.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.971 0.415 . . . . 0.0 111.013 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -72.39 -28.52 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -59.25 4.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.98 16.93 2.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 110.956 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' B' ' 71' ' ' SER . 18.3 t60 -91.58 -12.55 34.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -88.47 123.31 32.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.807 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 69.5 132.75 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.951 0.782 . . . . 0.0 110.765 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -81.01 106.96 13.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.358 0.599 . . . . 0.0 111.331 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -136.9 -35.29 0.71 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.474 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.92 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.627 0.251 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.32 101.17 13.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.012 0.434 . . . . 0.0 110.548 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.3 mt -97.13 120.78 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.341 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 4.9 tp60 -124.79 157.68 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -69.05 104.61 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 7' ' ' TYR . 6.0 ttpm? 73.73 -19.97 0.32 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.99 0.916 . . . . 0.0 112.247 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.607 ' CE1' HD13 ' B' ' 32' ' ' LEU . 25.5 m-85 -114.98 144.76 43.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.469 0.652 . . . . 0.0 112.404 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -111.07 144.77 39.67 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 168.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.78 -40.88 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -65.03 -36.92 85.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.525 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.27 -53.47 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.457 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 16' ' ' ILE . 47.6 t -59.14 -48.3 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.713 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.63 -36.33 82.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -56.77 -47.97 78.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.767 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 19' ' ' ILE . 10.4 mp -60.27 -51.01 71.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.341 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.1 mt -54.35 -46.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 O-C-N 123.5 0.5 . . . . 0.0 110.979 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.84 -42.29 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.278 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.27 -36.05 71.59 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.643 0.259 . . . . 0.0 111.012 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' B' ' 19' ' ' ILE . 10.1 mm -59.26 -41.21 83.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 23' ' ' LEU . 96.0 mt -67.25 -32.36 73.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.167 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.8 t -58.3 -44.71 88.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.663 0.268 . . . . 0.0 110.445 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.51 -50.09 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.531 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -53.23 -48.75 67.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.509 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -36.16 80.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.169 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 20.1 ttmm -72.36 -28.42 63.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.805 0.336 . . . . 0.0 110.682 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.44 -22.22 44.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? 61.54 47.59 6.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.66 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -76.18 130.08 78.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.801 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.8 Cg_exo -64.84 169.22 12.01 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.852 2.368 . . . . 0.0 111.212 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.446 HG23 ' HD3' ' B' ' 48' ' ' LYS . 63.6 m -52.3 -43.45 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.057 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.9 -59.82 4.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.923 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 HG22 ' B' ' 12' ' ' VAL . 35.4 tp -71.69 -31.95 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.164 -173.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' A' ' 37' ' ' LEU . 22.7 t -62.19 -47.41 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.21 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.48 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.5 ttm -66.71 -42.22 86.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.68 92.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.56 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -61.93 -50.93 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.38 -47.16 77.33 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.994 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.8 -41.42 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.713 0.292 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.4 -37.25 86.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.8 t -59.91 -48.03 89.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.598 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -34.54 67.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 0.0 111.609 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -66.62 -30.86 71.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.52 -39.05 74.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.298 174.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 96.1 mt -59.95 -48.86 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.17 -12.12 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.92 -65.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.09 -9.45 55.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.917 -170.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 48.5 t -112.45 133.24 21.85 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.984 -175.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.3 Cg_exo -55.41 150.14 43.45 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.089 2.526 . . . . 0.0 112.232 175.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -51.2 -56.99 9.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.09 -34.51 76.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.462 . . . . 0.0 110.971 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 m -71.32 -27.38 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 95.1 mtt180 -56.92 -33.23 66.74 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.688 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -71.02 -53.01 16.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.986 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -73.56 -37.85 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.974 -174.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.21 -41.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.56 85.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 0.0 110.26 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.71 -52.21 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.633 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 37.6 mm-40 -68.68 -29.91 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.437 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -64.46 -46.56 82.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.179 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.73 98.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.82 -42.21 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.919 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.36 85.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.21 -50.86 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.945 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.12 77.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.68 -38.42 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -63.76 -37.68 88.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.46 -38.92 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.352 0.596 . . . . 0.0 110.358 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -77.06 -2.43 34.05 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.156 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m -93.24 0.54 57.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.194 0.521 . . . . 0.0 110.441 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -80.54 -44.14 19.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.7 7.89 43.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.952 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -32.06 -55.65 0.31 Allowed 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.21 0.944 . . . . 0.0 113.454 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -105.99 101.32 10.82 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -112.79 112.2 23.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -96.29 127.59 42.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -51.33 114.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.819 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -110.64 129.94 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.936 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.425 177.338 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.584 0.23 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.76 86.56 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.787 0.327 . . . . 0.0 111.045 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -83.15 104.18 11.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -102.65 105.89 16.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.467 -175.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -117.22 -172.94 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.539 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -64.32 91.77 0.08 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.82 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 156.14 -170.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.669 1.588 . . . . 0.0 109.157 167.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 12' ' ' VAL . 39.2 m -147.57 120.81 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.692 0.282 . . . . 0.0 110.261 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.1 -49.67 76.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.201 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.0 m -62.28 -39.11 91.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.424 ' HG3' HD21 ' A' ' 32' ' ' LEU . 6.2 tp-100 -62.46 -50.98 69.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 32' ' ' LEU . 58.7 t -59.62 -50.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.933 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.98 -32.31 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.888 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 59.5 m -66.06 -41.0 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.519 ' O ' HG13 ' B' ' 19' ' ' ILE . 4.8 mt -58.86 -58.1 10.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.921 172.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 80.1 mt -46.16 -49.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.532 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.73 -50.64 72.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.077 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.89 -31.98 63.37 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.572 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 19' ' ' ILE . 78.7 mt -65.4 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.058 0.456 . . . . 0.0 110.047 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.2 mt -66.6 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.5 t -61.01 -38.34 79.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.6 -52.01 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.58 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.768 HD11 HD21 ' B' ' 37' ' ' LEU . 95.8 mt -49.98 -54.43 20.06 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.782 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -79.63 -4.81 53.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.46 -35.96 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.75 -16.23 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.921 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 tttm 60.62 47.79 7.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 108.971 -173.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -65.14 133.65 95.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.317 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 32.2 Cg_exo -58.82 163.94 10.5 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.867 2.378 . . . . 0.0 111.448 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 m -54.88 -43.55 73.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -73.19 -31.99 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.32 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.607 HD13 ' CE1' ' A' ' 7' ' ' TYR . 28.0 tp -74.95 -33.58 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.257 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m -61.22 -47.2 87.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.197 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.75 -35.7 79.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttm -67.31 -45.77 75.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.908 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.68 64.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.624 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.768 HD21 HD11 ' B' ' 23' ' ' LEU . 4.5 mm? -58.54 -52.1 67.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.321 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.105 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.12 -34.28 78.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.57 0.224 . . . . 0.0 110.569 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.56 -45.78 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.526 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 37' ' ' LEU . 96.4 t -57.1 -46.81 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.122 177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -68.04 -35.01 77.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.801 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -64.16 -35.75 81.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.425 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.43 -42.34 44.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.097 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.66 -49.57 77.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.701 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.49 -33.12 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -45.53 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.108 -0.37 . . . . 0.0 111.461 -173.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 30' ' ' THR . 65.2 mttm -86.03 -33.37 21.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.817 -172.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 57' ' ' VAL . 42.0 t -96.13 130.59 30.78 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.987 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 52.0 Cg_exo -55.46 145.8 66.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.796 2.331 . . . . 0.0 111.731 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -50.98 -39.92 56.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.051 0.453 . . . . 0.0 111.359 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.56 -25.52 64.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.965 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -101.23 -3.64 28.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.64 0.257 . . . . 0.0 111.304 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.2 mtt180 -66.3 -32.94 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.019 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -65.53 -42.41 92.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.304 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -52.84 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.374 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 49' ' ' VAL . 33.5 m -68.29 -26.76 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.61 92.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -71.46 -37.73 71.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.74 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 97.1 mt-30 -70.3 -42.16 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.111 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.47 -47.22 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.08 85.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.304 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' B' ' 60' ' ' GLN . 16.9 tppt? -56.37 -56.48 20.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.413 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.057 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.1 -50.77 70.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.48 87.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -70.38 -22.3 62.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.741 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 64.3 m -74.12 -43.59 56.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 0.0 110.2 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 -43.36 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.4 . . . . 0.0 110.683 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -75.23 -16.07 60.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.1 p -90.79 -27.41 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.267 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -80.79 -18.6 47.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -94.01 -20.25 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.042 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' B' ' 79' ' ' HIS . 0.7 OUTLIER 70.19 160.48 0.21 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.182 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.404 ' HB3' ' H ' ' B' ' 76' ' ' HIS . 86.6 m-70 -101.07 -153.16 0.44 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.293 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.404 ' H ' ' HB3' ' B' ' 75' ' ' HIS . 61.0 m-70 65.75 -168.34 0.21 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.127 -177.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -120.84 -26.37 5.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -126.86 121.09 30.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.016 172.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' B' ' 74' ' ' GLU . 95.2 m-70 -84.65 91.33 7.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.459 -167.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.416 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.824 0.345 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.75 152.99 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 pt -102.46 140.67 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.153 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 61.13 -163.0 0.26 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.697 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -156.5 149.8 24.36 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.394 -0.191 . . . . 0.0 110.529 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HE2' ' HG3' ' B' ' 29' ' ' PRO . 24.2 tptm 76.28 -48.89 0.58 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.014 0.821 . . . . 0.0 110.941 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -148.22 146.0 28.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 12' ' ' VAL . 30.7 t -94.23 153.71 17.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.922 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.57 -34.58 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.325 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -61.52 -41.24 97.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.326 0.584 . . . . 0.0 109.92 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.7 tt0 -68.55 -48.96 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.634 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 8' ' ' SER . 47.8 t -57.11 -49.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.613 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.55 -40.78 92.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.7 t -58.2 -42.37 86.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.653 ' HG ' ' ND1' ' B' ' 26' ' ' HIS . 10.5 mp -65.0 -49.47 70.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.196 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.2 mt -59.6 -45.27 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.526 0.516 . . . . 0.0 110.715 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.88 -45.26 90.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.38 -27.81 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.047 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.4 mt -68.33 -38.46 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 173.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 17' ' ' ALA . 94.9 t -58.82 -40.16 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.571 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' B' ' 22' ' ' VAL . 62.1 t -61.82 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.635 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 37' ' ' LEU . 95.8 mt -53.29 -51.02 63.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.293 174.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -36.66 84.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.946 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.82 -26.69 68.87 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -104.98 3.26 30.47 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.163 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 57.18 36.68 27.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.673 0.608 . . . . 0.0 110.846 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -62.29 116.32 21.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.821 -175.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 37.7 Cg_endo -67.4 158.71 55.78 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.415 2.077 . . . . 0.0 111.08 176.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.1 m -48.12 -48.16 34.14 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.308 0.38 . . . . 0.0 111.909 -176.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.81 -50.16 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.347 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.7 -34.7 69.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -65.12 -42.04 94.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.7 mt -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.249 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 46.3 ttm -63.2 -47.38 82.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.337 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.96 -59.32 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.625 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.1 mm? -55.04 -51.09 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.945 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.09 -38.79 96.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.544 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' MET . 16.9 t-20 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.26 -43.56 97.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.441 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.6 t -57.62 -47.52 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.447 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -70.11 -32.8 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.403 0.62 . . . . 0.0 110.416 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -68.52 -37.14 79.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.247 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.67 -32.33 70.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.018 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 93.9 mt -60.42 -38.08 82.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.992 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.09 -44.82 68.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.874 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.751 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 mmp_? -100.13 -8.89 23.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -168.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -131.0 -8.18 3.9 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.206 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.6 t -123.97 135.39 26.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.06 142.65 99.58 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.338 2.026 . . . . 0.0 111.541 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -40.08 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -26.97 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -93.61 -21.52 19.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.803 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.7 mtt180 -51.13 -48.34 61.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' B' ' 70' ' ' LYS . 91.7 mt-30 -63.12 -36.82 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.38 -42.77 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.51 -37.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.124 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.88 95.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.455 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.27 -44.59 78.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 97.6 mt-30 -61.47 -39.95 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -63.97 -45.54 88.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.865 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -57.91 -43.94 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -57.86 -54.02 51.67 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.763 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.37 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.341 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.83 -57.09 10.95 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.98 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.753 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.54 -46.36 90.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.054 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 75.3 m -56.93 -37.6 71.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.2 t -75.13 -49.88 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.513 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.01 -37.87 46.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -172.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 86.2 p -78.66 -11.04 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' SER . 59.6 t30 -70.13 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.16 -62.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.721 ' HG2' ' H ' ' A' ' 75' ' ' HIS . 19.8 tt0 60.57 -149.58 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.084 173.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.721 ' H ' ' HG2' ' A' ' 74' ' ' GLU . 1.0 OUTLIER 78.08 -24.64 0.21 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.142 0.977 . . . . 0.0 112.066 176.15 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 67.16 10.91 8.07 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -89.33 -55.18 3.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.818 -0.551 . . . . 0.0 110.546 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -81.29 87.26 6.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.036 -174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -129.11 -1.43 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.596 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.696 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.049 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.968 0.413 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.48 103.95 13.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.2 tt -80.74 106.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.379 0.609 . . . . 0.0 111.991 -173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 65.68 -78.11 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.919 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -134.98 135.16 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -173.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -14.75 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.596 . . . . 0.0 109.74 173.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -85.75 142.99 28.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.064 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 40.9 t -74.91 136.83 41.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -55.98 -39.01 71.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.697 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 14' ' ' SER . 20.1 m -61.02 -36.54 79.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -71.44 -47.62 54.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.161 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' SER . 93.3 t -53.46 -55.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.369 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' B' ' 16' ' ' ILE . 43.8 mt-10 -76.66 -18.64 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.727 -176.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 10' ' ' THR . 23.0 t -65.2 -45.53 84.41 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.759 ' O ' HG12 ' B' ' 19' ' ' ILE . 10.4 mp -59.98 -51.61 68.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.337 177.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 13' ' ' GLU . 76.4 mt -51.53 -48.73 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.573 0.546 . . . . 0.0 110.736 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.71 -47.3 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.077 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.3 mt-10 -63.36 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.759 HG12 ' O ' ' B' ' 15' ' ' LEU . 7.9 mm -60.51 -44.58 96.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.96 -37.92 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.086 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.2 t -57.26 -39.19 66.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' A' ' 22' ' ' VAL . 48.5 t -67.81 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.1 -30.92 71.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.743 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.66 -43.42 97.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 60.8 mttm -66.59 -19.93 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.653 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 33.3 m170 -88.49 -24.46 22.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.202 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 7.8 mtpm? 57.25 37.3 28.19 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.771 0.669 . . . . 0.0 110.199 -174.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.1 125.2 91.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.483 -176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.476 ' HG3' ' HE2' ' A' ' 6' ' ' LYS . 33.2 Cg_endo -65.1 167.21 16.65 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.761 2.308 . . . . 0.0 111.976 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -53.18 -46.41 68.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -67.36 -37.88 83.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.669 0.271 . . . . 0.0 111.487 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.22 -40.14 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.5 p -66.48 -47.17 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.787 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.57 -37.27 83.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.934 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.8 ttm -67.15 -40.44 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HA ' ' ND2' ' B' ' 39' ' ' ASN . . . -71.43 -39.37 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.101 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 41' ' ' VAL . 49.9 mt -65.37 -39.65 92.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.07 -43.62 93.23 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.624 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.651 ' ND2' ' HA ' ' B' ' 36' ' ' ALA . 6.2 p30 -80.66 -24.89 38.63 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.033 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 39.1 t -70.36 -44.37 68.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.709 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.625 HG22 ' HB3' ' A' ' 37' ' ' LEU . 84.6 t -61.0 -44.85 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.314 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -67.88 -32.85 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.287 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 17.0 t60 -63.88 -28.56 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.533 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 66.1 mt -71.53 -42.68 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.204 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.89 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 97.1 mt -62.8 -45.46 92.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.852 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.46 -15.35 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.233 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -96.65 -52.74 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -120.93 7.65 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -170.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.53 123.8 26.36 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.562 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.23 140.53 93.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.617 2.212 . . . . 0.0 111.598 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -46.86 -42.14 16.87 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.1 -55.66 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.919 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 57' ' ' VAL . 12.9 m -71.57 -24.98 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.89 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.0 ttm180 -57.64 -44.76 85.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.604 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.21 -36.61 79.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.214 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.36 77.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 53' ' ' SER . 98.9 t -66.04 -45.76 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.194 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.5 81.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.92 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.439 ' OE1' ' HE3' ' B' ' 63' ' ' LYS . 5.8 tp10 -57.38 -56.04 27.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.1 0.476 . . . . 0.0 110.709 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.42 -44.21 88.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.343 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.78 -44.73 95.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.954 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.43 -44.3 95.91 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.136 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 59' ' ' GLU . 98.7 mttt -73.08 -37.82 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.3 99.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.517 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.36 -51.59 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.17 94.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.293 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 m -65.32 -44.87 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.54 -39.55 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.526 ' HA ' HE21 ' A' ' 55' ' ' GLN . 64.8 tttp -67.71 -52.21 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' B' ' 74' ' ' GLU . 32.8 t -71.22 -16.94 62.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.365 -175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.861 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.05 -56.82 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' B' ' 71' ' ' SER . 33.9 mt-10 -91.94 93.16 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.868 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -81.22 163.46 23.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -103.18 96.62 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.289 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -154.32 147.3 24.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.156 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -146.78 106.26 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.242 0.544 . . . . 0.0 110.565 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -139.01 89.61 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 27.6 t60 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.407 174.831 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.64 147.87 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.806 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.0 mt -88.2 -31.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.471 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -75.79 -66.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.323 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t 63.14 -175.3 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.372 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -143.16 -60.51 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.681 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -112.15 109.37 19.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.935 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -100.07 -169.49 1.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.791 -174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -45.73 -47.1 15.38 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.597 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 m -50.28 -49.47 53.31 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.497 0.498 . . . . 0.0 111.748 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -70.8 -48.85 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.775 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.0 t -64.93 -49.99 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.467 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.81 -26.68 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.35 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 t -72.37 -35.21 68.43 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' O ' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -64.14 -54.35 35.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.798 176.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 12' ' ' VAL . 66.2 mt -54.68 -39.74 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.686 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.54 -49.46 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.203 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -72.07 -33.35 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.034 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 15' ' ' LEU . 58.4 mt -62.57 -38.6 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 109.817 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.12 -33.9 76.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.349 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.7 t -67.12 -32.82 59.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' B' ' 22' ' ' VAL . 56.5 t -67.87 -40.92 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.46 -53.14 61.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.88 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 27' ' ' LYS . 41.1 tt0 -65.33 -19.11 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.33 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.58 -36.19 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 110.071 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' HD22 ' B' ' 15' ' ' LEU . 7.0 p80 -120.19 18.6 12.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.134 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' GLU . 87.3 tttt 78.41 -53.21 0.49 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.574 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . . . 47.5 86.61 0.14 Allowed Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 123.982 0.802 . . . . 0.0 112.937 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.36 154.91 43.96 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.157 1.905 . . . . 0.0 111.101 174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.7 m -49.79 -43.13 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -52.96 -50.63 63.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 12' ' ' VAL . 52.9 tp -69.25 -42.98 74.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.739 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -63.48 -40.43 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.528 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 30' ' ' THR . 84.1 mt -62.38 -45.91 91.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.674 0.273 . . . . 0.0 110.679 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.28 -38.41 91.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.035 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.22 -52.95 22.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.356 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -59.56 -40.64 87.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.64 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.89 -39.48 88.5 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.43 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.05 -34.62 57.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.79 -0.241 . . . . 0.0 110.971 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.56 0.219 . . . . 0.0 111.088 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.1 t -61.29 -46.59 96.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 110.237 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -63.72 -39.96 95.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.278 0.561 . . . . 0.0 110.701 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.932 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.2 -39.29 75.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.83 0.347 . . . . 0.0 110.453 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 49' ' ' VAL . 96.1 mt -61.2 -41.55 97.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.59 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.31 -12.58 61.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.541 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.6 mmm180 -102.99 -67.28 0.89 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' ' OG1' ' B' ' 30' ' ' THR . 44.6 mtmt -106.61 16.53 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.06 -171.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD23 ' A' ' 45' ' ' LEU . 46.9 t -123.48 123.63 26.42 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -56.64 140.67 90.77 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.848 2.365 . . . . 0.0 111.593 177.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB3' HD21 ' B' ' 73' ' ' LEU . 9.2 m -55.43 -30.61 60.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.91 -174.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.34 -26.42 61.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.946 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -104.55 -9.63 18.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.3 mtt180 -58.26 -43.11 87.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.883 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 mp0 -62.09 -43.74 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.605 -178.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.5 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.681 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.92 -42.67 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.498 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.32 94.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.451 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 56.4 mt-10 -62.67 -49.11 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -71.94 -30.81 65.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.142 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.71 -38.52 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 109.529 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.32 -37.35 68.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.064 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.314 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.29 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.866 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.4 mp -59.29 -47.78 84.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.25 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.303 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.69 -38.48 70.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' LEU . 61.3 t -63.7 -43.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -63.63 -52.7 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.217 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -57.84 -31.0 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.756 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.36 -35.68 79.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.955 0.407 . . . . 0.0 110.822 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' B' ' 51' ' ' SER . 52.6 mt -101.05 -14.47 17.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.605 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -78.76 104.63 9.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -169.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 24.8 t60 -178.02 -57.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.29 166.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -96.94 120.4 37.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -124.18 157.97 33.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.493 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -116.57 -35.09 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.82 0 O-C-N 124.697 1.248 . . . . 0.0 108.867 171.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.63 -172.9 4.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.494 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt 67.28 -71.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 123.78 0.675 . . . . 0.0 111.646 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.507 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 5.8 tp60 -78.04 116.78 18.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.013 0.435 . . . . 0.0 110.478 -177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -105.68 121.48 44.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.299 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -65.73 -30.63 71.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' B' ' 6' ' ' LYS . 49.4 m-85 -133.33 146.71 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -78.92 149.15 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 172.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -58.48 -39.39 79.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -61.78 -24.21 66.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -66.86 -48.26 69.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 16' ' ' ILE . 21.2 t -71.22 -45.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.17 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -55.53 -55.07 36.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.962 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -73.49 -21.7 60.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.192 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.544 ' O ' HG13 ' B' ' 19' ' ' ILE . 19.8 tp -68.23 -42.71 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.2 mt -54.27 -47.1 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -63.77 -37.01 85.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.347 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 7.8 tp10 -64.03 -46.55 83.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.252 0.548 . . . . 0.0 109.958 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 15' ' ' LEU . 17.5 mt -67.91 -33.54 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.335 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.2 mt -64.73 -39.09 93.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 17' ' ' ALA . 82.9 t -59.59 -39.66 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.33 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 22' ' ' VAL . 16.7 t -55.91 -56.49 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.445 177.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.09 -42.38 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.997 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.97 -46.52 90.38 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 29.2 mtpp -63.58 -16.23 60.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.908 -177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -108.71 -4.05 17.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.658 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 56.65 36.22 27.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.435 0.636 . . . . 0.0 110.148 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 123.03 76.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.837 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.0 158.04 31.45 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.898 2.398 . . . . 0.0 111.534 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 5.1 m -55.81 -47.47 77.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -59.34 -48.29 82.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.9 -43.52 98.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.0 m -62.97 -48.1 80.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.97 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.0 mt -61.7 -41.53 97.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.043 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.7 ttm -63.14 -44.09 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.198 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.0 93.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 33' ' ' SER . 60.5 mt -66.77 -40.95 88.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.58 90.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.025 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.58 -32.58 74.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.519 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.485 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.3 t -63.35 -53.69 48.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.516 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 37' ' ' LEU . 65.6 t -57.67 -44.37 85.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -61.38 -40.63 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.578 . . . . 0.0 110.562 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -74.29 -27.55 60.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.082 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 95.4 mt -67.45 -36.49 81.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.019 0.437 . . . . 0.0 109.915 175.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.694 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.466 ' HA ' ' NH2' ' B' ' 54' ' ' ARG . 42.2 mt-10 -67.09 -22.15 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.832 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' B' ' 47' ' ' ARG . 0.6 OUTLIER -85.48 -34.27 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -170.629 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -130.51 -30.61 1.87 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.949 -0.701 . . . . 0.0 112.477 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.6 123.37 65.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.524 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.605 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.49 148.47 80.76 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.704 2.269 . . . . 0.0 111.391 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.857 ' HB3' HD11 ' A' ' 73' ' ' LEU . 14.9 m -56.7 -38.34 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.887 0.375 . . . . 0.0 111.318 -175.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.43 -43.06 99.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.879 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.458 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -76.95 -31.19 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.3 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.9 mtt180 -51.7 -37.51 51.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -57.33 -52.45 65.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.193 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.93 -31.18 59.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.207 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 53' ' ' SER . 96.1 t -64.3 -46.59 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.784 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.84 -48.15 80.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.63 -35.08 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.24 -49.61 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.136 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.82 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.628 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -61.31 -45.69 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.546 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.99 78.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.856 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -61.28 -48.42 81.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.79 78.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.538 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.3 -38.84 92.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.235 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -63.42 -47.4 82.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.37 -42.47 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.52 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.37 -36.78 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.4 t -62.55 -25.68 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.823 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -73.67 -23.17 59.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.301 0.572 . . . . 0.0 110.226 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 51' ' ' SER . 88.1 mt -100.01 -12.71 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.3 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -82.72 146.92 28.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.132 0.492 . . . . 0.0 111.045 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.27 120.06 20.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.732 -172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -70.17 112.21 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.651 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -89.31 -172.11 3.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -106.22 58.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.493 0.663 . . . . 0.0 111.308 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.59 -46.89 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.902 171.86 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.13 -82.56 0.55 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.317 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mm 56.26 93.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 123.787 0.68 . . . . 0.0 111.824 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -104.09 111.8 24.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p 49.08 23.39 0.74 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 69.94 -58.64 0.53 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.029 0.531 . . . . 0.0 111.303 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.29 155.31 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p -69.39 144.86 53.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.976 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.97 -54.86 33.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.642 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -57.73 -36.74 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.4 tt0 -63.27 -53.29 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.8 t -64.03 -43.35 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.082 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.62 -52.09 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.674 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 p -66.73 -30.8 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.367 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -68.54 -47.84 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.738 176.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.4 mt -58.27 -44.48 88.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.341 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.99 -44.25 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.262 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tp10 -60.71 -44.42 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 15' ' ' LEU . 17.5 mt -65.62 -36.53 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.31 -38.39 90.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.274 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' ALA . 95.3 t -64.04 -31.69 54.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.439 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' B' ' 22' ' ' VAL . 84.1 t -59.95 -55.65 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.63 0.252 . . . . 0.0 110.612 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.75 -51.66 66.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -44.17 84.73 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.092 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.71 -24.59 67.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.704 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -94.98 -2.44 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 tttp 63.47 31.07 15.17 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.66 . . . . 0.0 110.152 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.21 130.79 64.58 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.166 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.92 157.21 62.66 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.47 2.113 . . . . 0.0 111.457 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -54.23 -38.2 65.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.635 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.4 -44.4 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.707 HD11 HG22 ' B' ' 12' ' ' VAL . 40.1 tp -73.11 -31.16 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.228 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -63.33 -47.22 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.422 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.87 -39.79 90.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.381 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -62.58 -46.16 89.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.1 77.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.278 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.64 76.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -70.2 -35.24 73.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.406 0.146 . . . . 0.0 110.808 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 t -60.87 -52.31 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.6 t -59.38 -44.62 92.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.67 -32.53 71.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.744 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -69.62 -27.45 65.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.904 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.42 -36.57 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 90.2 mt -64.79 -31.91 73.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.651 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 7.3 pt-20 -87.04 -14.32 41.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 21.6 mmt180 -107.43 -62.51 1.41 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -84.9 -13.91 49.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.0 t -110.65 129.22 24.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.629 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.48 151.39 85.06 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.32 2.014 . . . . 0.0 111.299 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 m -53.47 -30.69 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.693 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -53.08 57.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.152 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -94.82 -11.74 28.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.699 0.285 . . . . 0.0 111.131 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 41.1 ttm180 -54.57 -42.2 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.485 -177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -78.14 -41.01 36.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.247 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.28 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.699 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.7 -38.83 77.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.476 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.43 73.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.221 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 26.5 mt-10 -67.84 -45.23 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.674 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.74 -39.46 91.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.91 -42.24 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.57 -47.12 87.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.312 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 54.5 mttm -62.25 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.65 97.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.93 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.66 -51.97 67.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.35 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.21 95.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.493 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.85 -30.57 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -67.11 -36.55 82.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.921 0.391 . . . . 0.0 110.24 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG12 ' NE2' ' B' ' 55' ' ' GLN . 15.8 t -75.06 -39.99 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.088 0.47 . . . . 0.0 110.327 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 53.3 tttm -55.69 -27.01 47.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.642 -173.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.4 t -59.97 -24.45 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.228 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.544 ' ND2' HH11 ' B' ' 54' ' ' ARG . 11.7 p30 -87.46 -21.56 25.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.875 0.369 . . . . 0.0 110.663 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -96.81 -40.74 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.248 -173.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 78' ' ' HIS . 17.4 pt-20 -83.22 34.47 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.319 0.581 . . . . 0.0 111.253 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.445 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 33.4 t-80 -62.02 103.53 0.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.184 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 24.5 t-80 76.74 -40.45 0.37 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.481 0.712 . . . . 0.0 110.927 -177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -93.59 76.44 4.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 110.074 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 74' ' ' GLU . 49.5 t60 -63.74 -40.04 95.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 109.415 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -179.37 -38.39 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.401 165.538 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.926 0.393 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.93 -28.57 24.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.3 111.15 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.895 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.43 79.22 1.68 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.302 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -150.62 143.43 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.166 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -124.3 -47.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 0.0 110.023 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.33 131.2 49.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -74.26 133.91 42.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -53.84 -45.75 71.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.643 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.3 m -59.79 -42.3 93.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.007 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -61.99 -48.94 78.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.808 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.707 HG22 HD11 ' A' ' 32' ' ' LEU . 45.7 t -64.47 -46.17 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.55 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.005 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 m -71.93 -35.57 69.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.661 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.623 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.5 tp -60.28 -53.33 58.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.148 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.42 -39.72 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.424 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.523 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.57 -46.9 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.473 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.6 tt0 -65.23 -39.5 92.83 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.532 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 15' ' ' LEU . 20.5 mt -60.03 -41.58 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.74 -43.09 94.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.108 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 78.0 t -59.12 -41.32 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' A' ' 22' ' ' VAL . 78.5 t -56.64 -51.77 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 111.211 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' B' ' 33' ' ' SER . 94.3 mt -57.7 -38.82 75.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.814 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.75 -28.33 63.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.141 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 91.8 mttt -54.16 -45.86 72.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.153 0.501 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -97.93 -4.34 36.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.809 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 51.51 43.32 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.704 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.6 136.18 92.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.515 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.75 161.34 15.34 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.416 2.077 . . . . 0.0 111.396 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -56.73 -35.73 68.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.53 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -61.31 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.967 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.74 -38.02 79.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.19 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 59.5 m -64.4 -45.58 87.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.006 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.32 -38.53 87.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.413 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttm -61.61 -42.6 99.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.86 70.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 41' ' ' VAL . 72.5 mt -61.96 -39.0 90.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.2 -52.64 50.25 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -67.3 -28.32 67.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.561 0.219 . . . . 0.0 110.488 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 51.8 t -64.4 -55.69 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.51 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.6 t -57.33 -44.82 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.426 HG23 HG22 ' A' ' 69' ' ' VAL . 4.1 m -66.65 -35.93 81.35 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.791 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -68.94 -32.2 71.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.3 mt -66.31 -44.16 84.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.006 0.431 . . . . 0.0 109.921 176.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.36 -44.09 95.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.564 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.483 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 6.3 mt-10 -74.93 0.39 15.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -107.48 -58.07 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.623 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.408 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -86.66 -44.28 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.184 0.516 . . . . 0.0 110.567 -173.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.75 133.99 51.23 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.695 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 50.3 Cg_exo -56.85 148.26 67.95 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.898 2.399 . . . . 0.0 112.364 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -45.14 -50.17 11.45 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -29.3 39.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 111.04 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -71.04 -31.42 67.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.431 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.6 mtt180 -53.56 -42.12 67.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.214 0.531 . . . . 0.0 110.762 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.617 ' NE2' HG12 ' A' ' 69' ' ' VAL . 42.7 mm-40 -63.51 -44.32 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.516 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.26 90.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.808 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 53' ' ' SER . 67.2 t -63.01 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.49 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.923 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.77 -50.27 74.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 109.785 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -66.86 -37.68 84.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.98 -47.95 78.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.475 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.11 -40.46 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.381 0.61 . . . . 0.0 110.371 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . 27.4 ttmt -62.0 -51.75 66.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.598 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.2 tp -59.37 -58.05 10.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.281 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.58 78.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.249 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -62.82 -40.17 96.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -67.15 -33.99 76.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.581 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 54' ' ' ARG . 96.9 t -65.59 -50.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -21.99 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.177 -177.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 67.9 m -68.64 -30.59 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 176.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -83.26 -6.87 59.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.095 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -100.65 -1.2 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.42 82.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.744 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' HIS . 4.1 p80 -147.29 85.09 1.58 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.596 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' B' ' 75' ' ' HIS . 5.1 t-160 173.32 -24.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -77.27 -175.8 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.359 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -78.84 53.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.933 0.396 . . . . 0.0 111.219 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 44.08 33.37 0.78 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.766 1.226 . . . . 0.0 113.653 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.534 175.087 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.28 148.73 15.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.27 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.69 11.45 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.206 0.527 . . . . 0.0 111.241 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -136.03 163.69 29.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.232 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -74.89 134.35 41.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.415 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -81.0 -24.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.955 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -120.5 133.14 55.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.871 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 p -76.27 167.86 21.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.252 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -62.73 -35.44 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.035 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 t -81.16 -23.95 37.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.294 -177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.94 -61.57 2.48 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.66 -38.91 67.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.866 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 10' ' ' THR . 31.5 tt0 -52.45 -56.38 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.386 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.2 p -59.63 -36.57 76.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.641 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 19' ' ' ILE . 6.4 mp -69.65 -52.15 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.907 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.2 mt -56.96 -45.96 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.868 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -45.54 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.293 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' B' ' 22' ' ' VAL . 35.7 tt0 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.782 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 15' ' ' LEU . 3.3 pt -70.75 -36.56 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 111.387 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.93 -43.45 95.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.411 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.6 t -61.33 -38.41 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.44 -48.5 82.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.187 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD11 HD21 ' A' ' 37' ' ' LEU . 66.6 mt -59.23 -44.17 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.682 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.61 -32.38 60.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.849 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 21' ' ' VAL . 50.7 mtmt -67.74 -38.46 83.54 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 122.208 -0.308 . . . . 0.0 111.032 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -79.4 -14.76 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 tttp 52.33 62.89 2.47 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.806 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 123.62 89.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.405 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.89 168.52 3.31 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.885 2.39 . . . . 0.0 112.281 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -52.85 -51.51 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.853 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.73 -41.74 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.762 0.315 . . . . 0.0 111.008 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CZ ' ' B' ' 7' ' ' TYR . 54.5 tp -62.52 -44.88 95.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.077 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 13.6 p -66.14 -46.8 76.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.905 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.14 -46.24 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.598 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttp -63.26 -44.58 94.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.28 73.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.652 0.263 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.6 mm? -62.17 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.802 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.21 58.63 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.397 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -60.58 -38.91 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.503 0.192 . . . . 0.0 110.511 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.2 t -62.18 -50.57 71.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.004 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 37' ' ' LEU . 85.7 t -60.86 -44.02 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -68.56 -30.48 69.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.265 0.555 . . . . 0.0 110.066 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -71.16 -28.73 64.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.56 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.0 mt -64.76 -39.13 93.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.251 0.548 . . . . 0.0 110.102 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 73.3 mt -63.04 -32.59 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.261 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.17 -20.12 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.311 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -94.46 -47.62 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -116.13 -17.15 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.95 129.31 25.05 Favored Pre-proline 0 C--N 1.319 -0.732 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.817 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.4 Cg_exo -62.73 147.53 94.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.563 2.175 . . . . 0.0 111.064 171.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.497 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m -58.97 -33.02 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -172.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.53 -35.33 77.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.252 0.549 . . . . 0.0 110.855 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -93.4 -17.96 22.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.331 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 51' ' ' SER . 94.2 mtt180 -55.11 -41.36 71.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -49.06 47.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.65 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.488 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.36 -47.88 90.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.554 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.87 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.48 -48.13 73.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.106 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.29 -35.08 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' B' ' 38' ' ' GLY . 39.7 t80 -56.95 -49.62 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -59.05 -43.26 91.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.159 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 19.1 ttmt -68.08 -29.47 68.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.104 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.72 95.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.668 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.5 mt -63.69 -40.71 97.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.0 91.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.869 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 60.0 mm-40 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.2 m -65.2 -42.87 93.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.323 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 65' ' ' LEU . 48.2 t -61.21 -45.72 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.132 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.5 t -61.59 -36.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.625 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.09 -27.51 63.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.999 0.428 . . . . 0.0 110.486 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.6 mt -84.46 -5.83 59.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.6 122.55 45.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.274 0.559 . . . . 0.0 111.447 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -115.19 22.28 13.45 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 35.7 m170 -75.26 173.25 11.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.15 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 76' ' ' HIS . 42.2 m-70 75.13 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.437 0.695 . . . . 0.0 111.435 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -85.11 -42.72 14.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.354 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -155.39 145.97 22.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.703 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.149 174.318 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.38 108.58 13.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.54 98.48 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.007 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -81.63 -31.32 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -76.63 99.15 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.57 93.16 0.89 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.743 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 20.0 m-85 69.81 -159.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.028 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -147.03 147.94 31.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.04 -39.46 82.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 0.0 110.203 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -59.41 -42.9 92.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -62.54 -52.86 61.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.15 -44.4 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.27 -50.39 74.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.9 p -67.31 -37.51 83.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.841 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 19' ' ' ILE . 49.2 tp -60.36 -51.86 67.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.469 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 90.3 mt -58.2 -43.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.298 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.46 -38.79 85.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.252 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.62 -46.94 85.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.706 0.288 . . . . 0.0 110.928 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 15' ' ' LEU . 10.7 mt -61.12 -39.41 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.231 0.539 . . . . 0.0 109.884 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.4 mt -65.28 -41.86 93.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.0 t -57.54 -40.65 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.433 HG13 ' OE2' ' A' ' 18' ' ' GLU . 88.8 t -61.01 -44.57 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.566 HD11 HD21 ' B' ' 37' ' ' LEU . 73.9 mt -71.83 -36.72 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.51 -40.44 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.732 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.79 -31.9 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.555 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.449 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 57.5 m170 -84.06 -27.05 28.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.215 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.34 37.32 28.02 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.26 0.552 . . . . 0.0 110.065 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.53 135.22 90.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.443 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.76 174.67 10.75 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.616 2.211 . . . . 0.0 111.223 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -56.2 -39.82 73.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.195 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.87 -55.28 34.42 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.338 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.448 ' HG ' HD22 ' A' ' 15' ' ' LEU . 32.9 tp -77.37 -33.22 55.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.568 -170.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' B' ' 37' ' ' LEU . 12.0 p -66.14 -57.01 8.61 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.06 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.64 -37.78 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -61.02 -52.52 64.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.75 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.88 69.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.566 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -59.24 -45.34 91.43 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 61' ' ' PHE . . . -57.93 -44.99 94.22 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.146 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.55 -38.72 90.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.72 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.523 ' SG ' HG23 ' A' ' 16' ' ' ILE . 75.0 m -61.84 -48.02 82.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.472 0.177 . . . . 0.0 111.472 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 37' ' ' LEU . 62.1 t -58.93 -46.95 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.676 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 45' ' ' LEU . 1.3 m -73.41 -24.07 60.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 24.3 t60 -73.09 -36.7 66.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.722 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.77 -22.84 62.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.712 0.292 . . . . 0.0 110.633 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 42' ' ' THR . 89.8 mt -61.96 -38.66 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.998 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 25.4 mt-10 -65.49 -30.0 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 0.0 110.516 178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 43' ' ' HIS . 3.8 mmt180 -87.64 -53.36 4.82 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.071 -168.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -100.63 -8.41 22.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 29.9 t -121.85 132.87 24.15 Favored Pre-proline 0 C--N 1.321 -0.659 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.613 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.529 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 25.2 Cg_exo -62.73 147.59 94.51 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.748 2.298 . . . . 0.0 111.02 173.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -51.57 -42.69 62.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.21 -25.14 68.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 111.591 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m -102.06 -12.58 18.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.641 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.6 mtt180 -58.51 -48.05 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.9 -36.11 79.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.314 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.22 75.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.842 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -38.98 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.4 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.873 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.82 -42.42 97.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.86 -40.71 83.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.914 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.89 -39.05 87.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -66.44 -42.38 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -61.12 -47.47 86.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.08 90.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.72 -60.42 3.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.527 0.68 . . . . 0.0 110.472 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 50.7 tt0 -79.92 -22.49 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.642 0.258 . . . . 0.0 110.564 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -64.76 -40.82 95.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.63 -41.19 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.297 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.629 ' HB2' ' HA ' ' B' ' 67' ' ' GLN . 58.1 mttp -60.17 -23.93 64.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.191 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -69.61 -20.08 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -81.19 -22.64 38.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.226 0.536 . . . . 0.0 109.686 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.6 -10.97 35.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.84 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -78.23 88.06 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -140.52 28.91 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -72.29 175.47 6.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.23 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -136.58 100.99 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.359 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -90.4 134.42 34.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -99.31 -13.47 19.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 . . . . . 0 C--O 1.244 0.796 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.844 175.072 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.138 0.494 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.47 82.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.235 0.541 . . . . 0.0 110.603 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.7 18.53 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.51 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.85 146.5 48.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.041 -173.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -79.39 144.09 34.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.02 -7.86 9.4 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.963 -175.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' CD2' HD13 ' B' ' 32' ' ' LEU . 1.3 p90 40.01 97.32 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.681 1.238 . . . . 0.0 113.417 171.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t -76.98 -177.1 4.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.257 -173.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -52.43 -44.37 65.42 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.79 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.2 m -56.84 -45.92 82.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -63.89 -44.8 91.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.85 -42.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.39 -43.26 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -58.69 -46.29 87.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.261 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' B' ' 36' ' ' ALA . 29.5 tp -61.23 -48.28 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.735 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.41 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.17 -40.09 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.0 mt-10 -68.7 -44.8 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.326 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -65.86 -31.4 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.61 0.243 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.54 -42.9 73.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 110.46 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.0 t -59.71 -38.72 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.366 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' B' ' 18' ' ' GLU . 78.1 t -58.71 -48.61 85.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.495 175.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -54.9 -49.29 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -34.27 77.39 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' HG12 ' A' ' 21' ' ' VAL . 96.3 mttt -63.03 -36.25 82.93 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.242 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -88.52 -15.87 34.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.142 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 50.17 80.49 0.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.619 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.21 135.93 19.26 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.173 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.9 166.49 20.34 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.66 2.24 . . . . 0.0 111.551 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -55.78 -46.77 77.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.096 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.4 -43.89 75.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.972 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' B' ' 12' ' ' VAL . 36.4 tp -73.72 -43.03 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.975 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 18.4 p -62.48 -46.68 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.424 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.52 -36.55 84.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 tpp -62.02 -49.93 74.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.4 88.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -61.19 -45.92 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.421 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.97 94.8 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.709 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -70.4 -28.65 65.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.684 0.278 . . . . 0.0 110.746 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.22 -45.83 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.694 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' B' ' 37' ' ' LEU . 54.5 t -63.01 -42.42 96.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.089 0.471 . . . . 0.0 110.143 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.3 m -64.09 -39.3 93.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.563 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.13 -34.93 70.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.26 -45.17 61.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.815 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 69.6 mt -58.94 -53.38 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.19 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 3.3 tp10 -69.43 -20.64 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.903 -172.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -107.48 -52.25 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -93.55 -7.88 42.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.858 0.361 . . . . 0.0 111.402 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t -111.46 133.32 21.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.65 0.262 . . . . 0.0 110.835 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 77.3 Cg_exo -50.62 145.44 22.76 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.127 2.551 . . . . 0.0 112.671 177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 m -52.66 -45.07 66.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.907 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -70.6 -24.53 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -175.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 m -94.15 -15.77 24.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.789 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 91.6 mtt180 -55.8 -39.08 70.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.47 0.176 . . . . 0.0 111.243 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 55' ' ' GLN . 22.2 mt-30 -71.97 -51.66 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.77 98.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.96 -175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.82 -38.43 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.2 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.35 -46.16 89.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.684 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -68.36 -38.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.666 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.19 -43.44 95.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.052 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.41 89.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.496 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.96 -51.39 64.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.975 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.228 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.03 -51.54 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.098 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -61.02 -45.38 95.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -57.73 -42.87 84.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.332 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -62.14 -41.61 98.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' B' ' 54' ' ' ARG . 92.3 t -73.09 -40.62 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.375 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.708 ' HE2' ' HB1' ' A' ' 66' ' ' ALA . 61.3 mttm -70.34 -32.13 69.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.485 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.6 m -85.98 -6.76 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -71.91 -30.79 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mp -78.85 -38.3 38.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.948 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 71.04 -45.72 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.82 0.848 . . . . 0.0 112.336 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -72.98 82.64 1.23 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.287 0.565 . . . . 0.0 111.744 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -139.37 122.23 16.58 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 172.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.51 84.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 65.76 173.18 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.363 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -76.26 72.73 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.798 0.809 . . . . 0.0 111.872 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.238 174.913 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.654 0.264 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.16 83.15 0.15 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.184 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 tp -168.7 125.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.299 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' B' ' 5' ' ' SER . 8.1 pt20 -128.27 -53.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.558 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.45 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 38.0 t 66.45 145.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.691 0.758 . . . . 0.0 111.867 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.84 1.31 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.002 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.58 147.36 48.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 35.8 t -67.62 126.69 30.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.83 174.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.74 -32.56 71.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.21 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -74.8 -36.02 62.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.663 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 58.2 tp60 -59.03 -51.85 68.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 32' ' ' LEU . 46.4 t -61.03 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.34 -42.63 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.434 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.4 m -63.9 -36.05 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.02 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.553 ' O ' HG13 ' B' ' 19' ' ' ILE . 6.4 mp -62.06 -41.32 98.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.675 0.274 . . . . 0.0 110.727 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 12' ' ' VAL . 67.4 mt -59.14 -45.96 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.075 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.4 -35.02 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.154 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 14' ' ' SER . 9.1 mm-40 -59.75 -48.38 81.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.325 0.583 . . . . 0.0 110.61 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 15' ' ' LEU . 2.1 mt -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.018 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.41 -41.08 96.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 17' ' ' ALA . 71.5 t -55.87 -46.14 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.23 -42.25 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.551 HD11 HD21 ' B' ' 37' ' ' LEU . 97.5 mt -62.37 -41.36 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.26 -23.69 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.584 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HE2' HG12 ' B' ' 21' ' ' VAL . 68.7 mttm -61.68 -40.75 96.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.664 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -99.25 3.44 46.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.183 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 tptt 57.86 37.09 26.88 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.587 0.555 . . . . 0.0 110.591 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -58.05 116.55 14.97 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.288 -173.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 17.6 Cg_exo -67.56 176.81 4.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.243 2.629 . . . . 0.0 111.806 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 m -48.16 -56.03 8.89 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -60.1 -47.6 85.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.534 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 7' ' ' TYR . 23.4 tp -66.54 -34.01 76.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.703 -177.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.441 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.0 m -63.37 -53.65 49.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.964 0.412 . . . . 0.0 109.966 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.33 -36.85 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.119 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.9 ttm -62.5 -55.9 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -59.55 -46.17 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.36 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.4 mm? -63.17 -45.22 92.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.37 94.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.295 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -63.05 -38.99 93.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.676 0.274 . . . . 0.0 110.27 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 45.7 t -60.13 -53.92 52.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 97.7 t -54.85 -47.61 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -62.42 -40.07 95.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.39 -29.67 62.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 74.0 mt -63.54 -48.73 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.3 mt -58.42 -31.83 68.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.478 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.66 -45.3 37.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.719 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -26.44 26.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -112.02 -40.82 4.12 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.559 -0.457 . . . . 0.0 112.133 -173.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.455 HG21 HD23 ' B' ' 45' ' ' LEU . 41.7 t -93.5 135.85 24.85 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.352 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.6 149.22 83.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.79 2.327 . . . . 0.0 111.785 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -54.06 -36.52 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.18 -43.67 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -88.99 -14.52 36.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.442 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.1 ttm180 -55.91 -47.26 77.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.385 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 27.3 tt0 -73.34 -42.16 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.742 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.21 77.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.6 t -70.33 -34.58 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.12 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.124 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 38.2 mm-40 -59.51 -46.06 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.197 0.522 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.95 -43.02 97.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.52 -44.3 97.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.464 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.32 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.718 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -69.45 -38.98 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.95 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.192 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.61 -45.78 92.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.98 90.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.53 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -67.24 -39.33 86.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.263 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -64.06 -29.86 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.63 -49.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.604 . . . . 0.0 110.668 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' B' ' 70' ' ' LYS . 35.8 ttpt -60.78 -36.43 78.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.972 -174.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -64.3 -25.83 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 111.059 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -85.71 -25.93 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.356 0.598 . . . . 0.0 109.946 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -87.32 -29.03 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.197 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.82 139.25 58.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.376 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -62.52 115.7 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -121.51 164.06 17.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -64.04 123.19 18.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.252 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -104.62 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.552 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -136.03 154.92 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.678 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 26.3 p80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.449 173.254 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.75 0.309 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.5 87.83 2.94 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.079 0.466 . . . . 0.0 111.819 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -75.59 -83.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 169.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 50.93 -162.57 0.06 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.951 0.782 . . . . 0.0 112.626 169.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -105.3 90.38 3.41 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.842 169.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -76.78 -46.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -91.38 101.44 14.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.853 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 p -73.15 147.86 44.41 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -55.97 -35.95 67.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 110.093 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -62.54 -45.52 92.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.173 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.42 -47.05 83.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.329 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.527 HG22 HD11 ' B' ' 32' ' ' LEU . 62.1 t -66.45 -50.16 69.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.805 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.39 -41.67 94.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.618 0.247 . . . . 0.0 111.016 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 23.3 t -63.8 -39.56 94.55 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 19' ' ' ILE . 33.0 tp -65.23 -43.07 92.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.549 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.7 mt -58.38 -43.8 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.145 0.498 . . . . 0.0 109.819 175.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.803 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' SER . 21.2 mm-40 -54.94 -48.4 73.21 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.316 0.385 . . . . 0.0 110.473 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' B' ' 19' ' ' ILE . 4.9 mm -62.4 -42.6 96.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.019 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.45 -35.85 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.985 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.8 t -61.84 -40.59 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.614 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.82 -50.48 79.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.072 0.463 . . . . 0.0 110.228 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 76.8 mt -56.46 -49.3 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.356 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.75 -36.51 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.285 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HE2' HG12 ' A' ' 21' ' ' VAL . 64.7 mttm -60.11 -33.95 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.712 0.291 . . . . 0.0 111.428 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.44 -11.14 52.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt 58.53 29.25 18.14 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.637 0.586 . . . . 0.0 110.07 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -66.59 133.0 94.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.916 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 24.9 Cg_exo -63.57 160.53 35.64 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.675 2.25 . . . . 0.0 110.879 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG22 ' B' ' 49' ' ' VAL . 2.1 m -57.72 -35.4 70.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.637 0.256 . . . . 0.0 111.353 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.2 -53.5 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -72.71 -31.22 64.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -62.25 -52.02 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.409 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.94 -36.99 83.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.451 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.2 ttm -60.74 -48.63 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -47.02 74.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 23' ' ' LEU . 4.1 mm? -60.56 -46.33 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.35 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.61 89.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.399 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.018 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.91 -47.87 84.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 111.355 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' B' ' 37' ' ' LEU . 60.5 t -57.9 -48.24 84.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -73.96 -29.31 61.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.988 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -69.17 -40.74 77.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.264 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD11 HD13 ' B' ' 23' ' ' LEU . 95.9 mt -68.72 -41.03 79.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 176.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -60.98 -42.68 98.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.663 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.2 -45.19 81.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.237 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -87.24 -5.71 58.84 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.915 -170.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 18.8 tptm -118.37 -34.74 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.874 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.77 127.07 28.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.727 0.299 . . . . 0.0 110.943 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.87 151.8 74.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -49.29 -38.83 28.66 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.62 0.575 . . . . 0.0 112.335 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -56.72 -54.96 40.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.928 0.395 . . . . 0.0 111.585 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 m -89.29 -3.88 58.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.953 0.406 . . . . 0.0 111.068 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG3' HD22 ' A' ' 45' ' ' LEU . 39.2 ttm180 -64.8 -42.25 95.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -68.6 -32.95 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.749 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.72 71.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' HB ' HD21 ' A' ' 45' ' ' LEU . 67.9 t -62.95 -39.37 84.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.471 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.53 90.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.623 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.7 mm-40 -58.43 -48.24 81.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.063 176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.02 -43.57 98.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.57 -46.1 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.382 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.98 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.247 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 62.8 mttp -61.88 -48.03 82.31 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.713 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.97 81.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.424 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.91 -54.62 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -63.26 -43.38 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.094 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -55.57 -40.15 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -64.51 -52.22 58.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' B' ' 55' ' ' GLN . 46.9 t -61.59 -33.44 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.899 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 28.0 mtpp -78.26 -36.63 46.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.29 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.6 p -90.77 -21.99 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -172.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.59 -22.31 51.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.853 -177.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' B' ' 51' ' ' SER . 10.2 mp -82.74 -32.8 27.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 64.44 -89.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.187 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.9 m80 53.31 -150.2 0.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -171.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -105.24 135.07 47.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.925 0.393 . . . . 0.0 110.271 174.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -82.4 -8.37 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.805 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -87.22 132.72 33.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.592 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.686 0.279 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.73 -28.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.449 . . . . 0.0 111.168 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 tt -136.99 146.59 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.185 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -74.13 151.0 40.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m -62.45 130.84 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.067 0.461 . . . . 0.0 110.418 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.2 -19.71 56.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 110.888 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.95 132.61 49.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.111 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -88.39 164.16 15.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -58.6 -27.29 64.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.2 m -56.45 -45.4 80.85 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -75.47 -36.26 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.528 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.81 -47.95 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.404 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.34 -49.51 75.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.385 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -59.59 -46.74 88.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.578 ' O ' HG13 ' B' ' 19' ' ' ILE . 0.5 OUTLIER -56.62 -51.9 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.16 -178.277 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.39 -48.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.55 -44.75 93.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.482 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.14 -39.86 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.29 . . . . 0.0 111.04 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 19' ' ' ILE . 50.7 mt -65.04 -42.98 96.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.06 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' B' ' 17' ' ' ALA . 61.6 t -60.49 -45.63 96.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 18' ' ' GLU . 75.9 t -61.13 -49.3 85.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.448 0.166 . . . . 0.0 111.446 -178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.684 HD11 HD21 ' B' ' 37' ' ' LEU . 71.8 mt -50.39 -53.31 30.16 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.71 -32.01 67.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 -175.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.15 -37.98 87.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.63 -9.64 59.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 59.72 67.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.791 0.805 . . . . 0.0 109.581 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.91 118.96 65.53 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.085 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.71 161.89 11.65 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.449 2.1 . . . . 0.0 111.091 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -57.62 -36.95 72.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.621 0.248 . . . . 0.0 110.583 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.63 -50.49 72.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.287 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.527 HD11 HG22 ' A' ' 12' ' ' VAL . 25.1 tp -72.66 -31.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.648 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.414 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.8 m -62.76 -53.81 48.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.311 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -35.05 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttm -63.51 -49.76 72.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.772 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.96 38.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.684 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -54.61 -46.3 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.481 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.67 -49.96 72.04 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.671 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -65.33 -36.97 85.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.605 0.241 . . . . 0.0 110.704 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 42.1 t -60.8 -51.07 70.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.716 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.8 t -59.74 -44.31 93.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -39.28 88.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 110.513 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.54 -34.75 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.786 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.2 mt -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.316 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.83 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 58.8 mt -66.89 -44.0 81.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.742 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.74 -41.76 95.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.511 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.6 tpt180 -100.16 -33.76 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -170.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -113.76 -0.45 14.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.965 -170.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 30' ' ' THR . 41.5 t -123.78 134.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.27 . . . . 0.0 111.135 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.74 141.65 91.25 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.601 2.201 . . . . 0.0 111.238 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.478 ' HB3' HD21 ' A' ' 73' ' ' LEU . 14.4 m -52.04 -37.93 55.29 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.87 -51.64 57.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -71.01 -26.38 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.321 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 41.0 ttm180 -51.15 -49.84 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.589 0.756 . . . . 0.0 111.614 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.515 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.6 mt-30 -77.64 -27.62 51.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.28 62.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -71.49 -26.69 26.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.465 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.854 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.541 ' O ' ' HD3' ' B' ' 63' ' ' LYS . 51.6 mm-40 -62.12 -55.19 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.055 174.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.41 -45.64 93.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.636 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.54 -45.01 94.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.014 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.69 99.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.018 0.437 . . . . 0.0 110.749 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' B' ' 59' ' ' GLU . 0.6 OUTLIER -61.99 -47.46 84.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 176.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.86 90.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.528 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.53 -42.78 99.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -58.35 -41.42 84.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.983 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.6 t -61.86 -50.16 73.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.713 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.7 -38.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -66.62 -22.9 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.885 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -69.97 -26.85 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.854 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.88 -24.4 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.116 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.21 7.85 42.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.731 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' B' ' 74' ' ' GLU . 9.4 pt-20 -52.29 112.11 0.75 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.825 0.821 . . . . 0.0 111.757 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -165.2 135.43 3.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.601 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -71.44 80.66 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -85.58 84.51 7.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.542 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 9.2 t-160 -112.93 146.1 39.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.051 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 54.0 t60 77.83 106.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.115 0.884 . . . . 0.0 110.427 -176.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.504 175.675 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mtp . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 121.009 0.433 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.82 27.91 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.013 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 tp -91.79 103.4 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.68 0.752 . . . . 0.0 111.145 -175.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -137.47 134.6 35.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.782 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -87.83 106.84 18.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.116 -176.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -137.41 21.82 2.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.344 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -6.59 102.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 O-C-N 125.38 1.675 . . . . 0.0 113.681 172.398 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.72 156.85 15.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.201 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -59.03 -31.46 68.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -58.73 -38.51 78.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -70.3 -46.94 63.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.241 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 16' ' ' ILE . 38.8 t -58.97 -47.7 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.212 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.52 -42.26 96.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.675 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 12.5 p -70.07 -35.12 73.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.857 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 19' ' ' ILE . 4.7 mp -61.45 -43.91 98.04 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 12' ' ' VAL . 80.9 mt -57.32 -43.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.133 176.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.79 -39.29 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.051 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 14' ' ' SER . 17.9 mm-40 -56.72 -48.18 78.33 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.268 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' B' ' 19' ' ' ILE . 9.1 mt -68.53 -34.4 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.445 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -63.3 -38.54 91.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.425 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ALA . 93.9 t -60.14 -39.87 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.1 t -61.46 -53.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.731 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 37' ' ' LEU . 98.4 mt -53.24 -48.64 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.807 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.78 -28.14 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.5 -37.75 70.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.032 0.444 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -102.81 -0.99 30.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.1 tttp 52.27 56.79 7.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.788 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 124.53 90.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.696 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.91 173.06 5.17 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.618 2.212 . . . . 0.0 111.782 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -58.25 -41.08 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.635 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.66 -51.14 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 40.3 tp -73.17 -36.77 66.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.445 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -66.35 -47.39 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.817 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.61 -41.25 89.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.994 0.426 . . . . 0.0 110.336 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 ttm -63.59 -50.7 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.995 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.47 76.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 23' ' ' LEU . 4.0 mm? -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.68 55.52 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.735 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.23 -33.03 73.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.29 . . . . 0.0 111.331 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HA ' ' ND1' ' A' ' 43' ' ' HIS . 73.4 m -68.63 -50.03 54.51 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.485 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' B' ' 37' ' ' LEU . 79.0 t -57.75 -45.2 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.568 0.543 . . . . 0.0 110.597 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 11.4 m -63.55 -44.55 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.299 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.718 ' ND1' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -70.0 -31.27 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.691 -173.28 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 3.5 pp -85.93 -19.43 30.5 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.469 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 9.9 tt -69.34 -36.79 77.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 42' ' ' THR . 37.9 mt-10 -75.36 -36.29 60.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.025 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -84.8 -44.98 12.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -170.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -90.34 -20.63 22.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.449 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.635 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 55.8 t -110.38 131.03 22.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 18.9 Cg_endo -60.59 154.89 51.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.959 2.439 . . . . 0.0 112.09 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 m -54.54 -42.82 71.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.928 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.75 -32.67 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.004 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -97.08 -7.77 31.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 94.1 mtt180 -59.36 -49.43 77.84 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.553 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.29 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -71.75 -24.15 22.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.9 82.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.929 0.395 . . . . 0.0 110.331 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.91 -42.99 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.425 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.78 -49.66 76.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.609 0.242 . . . . 0.0 110.489 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.59 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.457 . . . . 0.0 110.144 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 2.3 tppp? -62.0 -52.49 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.369 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.12 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.911 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 15.2 tp -61.93 -57.65 10.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.254 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 70' ' ' LYS . . . -58.34 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -65.53 -44.69 86.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -71.75 -18.96 62.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.096 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 53.7 t -75.76 -44.09 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.595 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 26.8 pttt -84.13 -28.28 27.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.599 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.9 m -81.0 0.96 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.654 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -68.72 -43.21 76.42 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 173.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.6 pt? -98.19 -31.09 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.701 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -71.23 138.39 49.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 178.122 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 25.6 m80 71.0 7.87 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.155 0.582 . . . . 0.0 111.685 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' A' ' 77' ' ' HIS . 28.5 m170 -125.89 153.14 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 76' ' ' HIS . 65.3 t60 73.73 -38.46 0.4 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.928 0.491 . . . . 0.0 110.804 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 76' ' ' HIS . 41.2 t-80 -79.27 76.62 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -145.79 153.32 40.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.938 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.497 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.561 0.22 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.92 -59.89 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.4 pt -85.04 122.37 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.904 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -78.57 -50.33 11.73 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -128.97 -161.54 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -73.19 85.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 65.11 -88.54 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.116 -174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 31.1 t 173.15 120.47 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -55.81 -45.56 78.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.383 0.427 . . . . 0.0 110.03 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.82 -37.64 88.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -62.49 -48.81 77.96 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.515 0.197 . . . . 0.0 110.774 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 49.1 t -70.4 -44.11 77.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.77 -52.03 67.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.464 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -67.31 -26.58 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.929 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.601 ' O ' HG13 ' B' ' 19' ' ' ILE . 59.4 tp -68.47 -51.19 46.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 40' ' ' CYS . 86.7 mt -54.06 -44.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.695 177.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.538 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.8 -41.73 98.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.458 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.65 -39.57 91.54 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.223 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' A' ' 19' ' ' ILE . 53.0 mt -62.88 -39.81 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.114 177.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 43' ' ' HIS . 94.4 mt -63.28 -39.97 96.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.99 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.4 t -55.36 -47.56 77.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 22' ' ' VAL . 69.0 t -58.38 -52.57 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.297 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.53 HD11 HD21 ' B' ' 37' ' ' LEU . 96.1 mt -50.1 -48.47 53.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.105 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.67 -22.58 50.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.631 0.253 . . . . 0.0 111.182 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 52.3 mtpt -64.54 -27.71 69.15 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.872 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -99.2 -4.19 32.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.956 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 54.94 65.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.418 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -88.26 128.89 51.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.128 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 15.8 Cg_exo -67.59 173.27 9.16 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.714 2.276 . . . . 0.0 111.568 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.8 m -60.65 -38.22 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.646 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -54.86 22.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.926 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 28.8 tp -59.08 -37.04 76.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.489 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.432 ' O ' HD23 ' B' ' 37' ' ' LEU . 6.0 p -67.87 -44.5 76.91 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.875 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.76 -40.06 86.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.664 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.1 mtp -68.07 -53.11 28.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.46 85.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.617 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.5 mm? -66.88 -43.37 83.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.414 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.06 50.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.598 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.13 -27.02 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.584 0.23 . . . . 0.0 110.916 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 48.8 t -64.61 -44.48 90.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.1 t -60.92 -44.64 98.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.436 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -42.0 97.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 177.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.49 -30.82 71.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 93.8 mt -67.94 -41.53 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.48 -52.03 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.913 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.751 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 7.4 pt-20 -64.05 -29.58 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.685 ' HE ' ' HA ' ' B' ' 47' ' ' ARG . 1.6 mmp_? -100.15 -6.07 26.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -117.25 -39.04 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' HB2' ' B' ' 53' ' ' SER . 21.3 t -110.55 140.28 22.4 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 74.3 Cg_exo -51.64 152.94 11.81 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.056 2.504 . . . . 0.0 112.526 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.483 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 50.4 m -50.19 -56.54 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.01 -28.99 61.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.279 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.509 ' HB2' HG12 ' B' ' 49' ' ' VAL . 7.1 m -71.71 -24.87 61.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -177.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.751 ' NE ' ' HA ' ' B' ' 46' ' ' GLU . 78.3 mtt180 -55.24 -37.71 67.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -61.3 -42.15 98.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.964 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.69 83.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.48 -38.74 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.69 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.28 -44.68 94.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.013 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 2.1 mp0 -66.22 -37.97 86.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.865 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -63.45 -45.99 88.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.84 79.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.796 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 60' ' ' GLN . 22.7 mtpp -61.11 -50.15 74.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.961 175.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.13 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.082 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.7 tp -64.65 -47.06 79.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.991 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.42 88.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.678 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.72 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -36.32 74.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.085 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 65' ' ' LEU . 73.1 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.019 0.438 . . . . 0.0 110.38 174.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.94 -10.14 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.284 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.3 t -76.01 -18.51 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -85.49 -27.86 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.82 7.82 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.609 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.0 147.65 12.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.772 176.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -54.84 106.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 110.768 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -73.61 -3.85 30.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.63 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -84.69 2.11 43.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 0.0 110.009 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -74.9 88.92 2.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t60 68.32 132.84 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 124.038 0.836 . . . . 0.0 110.932 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.269 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.63 93.91 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -92.3 4.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.41 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -85.38 174.43 9.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -110.31 -156.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -59.38 -42.53 91.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -136.19 160.21 39.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.632 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 35.4 t -84.64 137.91 32.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.989 177.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.24 -50.46 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.675 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -67.19 -22.16 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 42.7 tt0 -66.02 -56.93 9.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' B' ' 32' ' ' LEU . 47.1 t -59.58 -38.82 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.788 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -53.86 -49.32 68.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.919 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 m -61.72 -38.68 88.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.02 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' O ' HG13 ' A' ' 19' ' ' ILE . 10.9 mp -62.39 -56.89 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.247 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' B' ' 36' ' ' ALA . 67.3 mt -56.28 -42.96 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.38 -46.97 85.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.667 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 27.3 tt0 -72.64 -31.18 64.92 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.13 -176.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' B' ' 19' ' ' ILE . 59.3 mt -63.27 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.632 0.729 . . . . 0.0 109.242 174.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 84.2 mt -62.33 -39.86 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.041 172.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 17' ' ' ALA . 89.7 t -63.73 -27.18 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' B' ' 22' ' ' VAL . 87.0 t -61.72 -53.95 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 109.703 172.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.663 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -56.39 -46.12 80.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.114 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.9 mm-40 -61.69 -40.71 95.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.555 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -55.37 -45.04 76.55 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -88.76 -11.25 45.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.9 ttmp? 54.64 70.29 0.63 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.493 0.663 . . . . 0.0 109.875 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -91.09 132.28 34.69 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 27.5 Cg_exo -63.07 170.24 7.91 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.604 2.203 . . . . 0.0 111.76 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -46.85 73.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.535 -176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.9 -51.54 67.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.71 -38.4 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.724 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 37' ' ' LEU . 54.4 m -64.7 -53.65 43.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.95 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.32 -39.75 88.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.757 0.313 . . . . 0.0 111.062 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 ttm -63.14 -45.82 90.12 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.23 71.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -58.9 -45.2 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.518 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.43 87.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.708 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.574 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 34.0 m-80 -65.75 -33.01 74.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 111.104 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' HG23 ' B' ' 16' ' ' ILE . 79.8 m -66.05 -31.3 72.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.837 -0.165 . . . . 0.0 110.752 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' B' ' 65' ' ' LEU . 48.5 t -71.78 -51.68 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.694 0.283 . . . . 0.0 110.585 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 p -66.93 -40.82 87.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.632 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -60.88 -20.39 61.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.044 -178.04 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 65.1 mt -85.72 -41.48 15.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 109.97 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 60.9 mt -60.48 -53.93 51.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 2.9 mp0 -63.25 -21.11 66.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.197 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 7.4 tpt180 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -173.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -106.09 -38.04 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.22 129.89 24.33 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 120.588 0.233 . . . . 0.0 111.578 -168.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.23 143.22 85.93 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.806 2.337 . . . . 0.0 111.376 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.7 m -52.21 -33.96 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -172.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -72.0 -46.51 56.96 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.448 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' VAL . 16.5 m -74.21 -25.69 59.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.029 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 35.7 ttm180 -57.73 -34.39 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.67 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 51' ' ' SER . 65.3 mt-30 -63.78 -43.93 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.356 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.22 82.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.811 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 53' ' ' SER . 61.2 t -61.88 -41.29 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.354 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.78 99.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -58.15 -48.43 80.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.588 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.3 -34.15 67.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.344 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.48 -51.41 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.424 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -31.72 72.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.303 0.573 . . . . 0.0 110.402 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 2.2 ttmp? -66.99 -44.55 80.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.31 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.76 81.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.61 -55.96 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.053 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.49 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.23 -41.3 88.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.541 ' HB2' HG21 ' B' ' 42' ' ' THR . 18.4 m -66.58 -33.87 76.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.12 0.486 . . . . 0.0 110.463 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.07 -40.64 78.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -56.75 -43.01 80.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.2 t -58.33 -23.19 55.91 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.263 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -87.78 -39.75 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.001 0.429 . . . . 0.0 111.533 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 73' ' ' LEU . 1.2 tm? -83.14 -37.79 23.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.23 57.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.317 0.58 . . . . 0.0 110.598 -177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -91.21 16.85 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.869 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -90.33 111.43 22.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -99.11 11.51 38.82 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -166.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -149.7 162.5 40.11 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.714 0.292 . . . . 0.0 110.442 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -97.62 -53.56 3.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 . . . . . 0 C--O 1.243 0.735 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.201 175.92 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.848 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.27 91.18 2.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.844 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 140.31 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.701 -175.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -134.57 -24.09 1.58 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.57 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m 64.87 47.73 2.58 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.141 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -83.58 148.18 27.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.026 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -84.61 142.42 29.96 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.87 -47.5 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.423 . . . . 0.0 110.329 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.3 m -60.15 -41.37 92.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.452 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.75 -51.86 64.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.325 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.42 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.49 -20.11 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.543 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -78.05 -36.03 48.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.566 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.8 tp -60.33 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.5 mt -56.21 -41.77 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.79 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.576 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.59 -45.17 81.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.609 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.56 -39.68 94.19 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' A' ' 19' ' ' ILE . 29.4 mt -60.04 -40.75 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.251 0.548 . . . . 0.0 109.776 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 46.7 mt -67.62 -40.11 84.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.773 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 17' ' ' ALA . 94.9 t -57.91 -42.02 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.527 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 22' ' ' VAL . 70.0 t -62.19 -49.98 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.655 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.35 -48.11 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.034 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.37 -44.96 92.66 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.887 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -65.25 -27.65 68.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 111.602 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -90.72 -4.34 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 9.5 mtpm? 54.1 39.56 30.77 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.64 0.587 . . . . 0.0 110.527 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.62 121.73 85.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.063 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.52 171.94 14.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.688 2.258 . . . . 0.0 111.721 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -56.53 -43.71 80.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.06 -49.18 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.555 0.217 . . . . 0.0 110.791 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.46 HD11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -62.53 -41.52 98.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.461 ' O ' HD23 ' B' ' 37' ' ' LEU . 35.1 p -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.044 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.74 -40.51 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 84.0 mtp -63.94 -41.97 97.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.733 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -68.42 -50.7 50.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.285 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.0 mm? -58.08 -43.27 86.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.265 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.79 71.24 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.842 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 40.9 m-80 -71.07 -29.3 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.738 -0.271 . . . . 0.0 110.923 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.497 ' SG ' HD11 ' A' ' 37' ' ' LEU . 42.4 t -63.83 -49.97 70.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.414 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -61.22 -47.24 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.619 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 68' ' ' SER . 9.2 m -62.97 -36.43 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.356 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -69.59 -26.19 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.961 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 96.3 mt -65.8 -37.56 86.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.36 -37.5 87.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.568 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.52 -33.89 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -95.11 -42.11 8.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -106.75 -6.31 17.89 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -171.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.79 132.61 24.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 0.0 111.408 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.623 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.81 153.79 41.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.993 2.462 . . . . 0.0 111.919 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 17.5 m -53.54 -47.92 69.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -32.92 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.387 . . . . 0.0 111.011 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' B' ' 50' ' ' PRO . 28.2 t -74.22 -17.81 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 -177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.4 mtt180 -60.33 -38.86 85.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.11 -41.76 85.69 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.474 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.017 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 53' ' ' SER . 49.9 t -68.11 -37.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.73 84.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.731 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.08 -45.8 91.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.21 -48.21 81.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.67 -44.5 96.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.329 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.23 89.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.22 -38.28 60.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.971 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.385 0.612 . . . . 0.0 109.978 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.485 HD11 ' HB ' ' A' ' 41' ' ' VAL . 14.4 tp -65.45 -51.27 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.971 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.9 82.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -62.03 -38.17 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -67.86 -30.5 69.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.28 -42.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 109.957 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -67.17 -12.27 59.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.506 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.1 m -67.57 -19.71 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -83.18 -5.07 58.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.9 1.14 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -80.57 172.84 13.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.724 0.773 . . . . 0.0 111.983 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -100.77 -172.17 2.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.372 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -59.79 91.93 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.601 0.715 . . . . 0.0 110.6 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -115.77 92.47 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -128.55 -65.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.342 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -88.3 54.37 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.04 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.276 -172.716 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.817 0.342 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.89 -46.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.63 -178.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.0 111.929 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -107.48 155.59 19.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -155.14 -91.39 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 6.8 ptpp? -81.04 90.38 5.99 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 166.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 69.52 -162.53 0.17 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.816 -1.083 . . . . 0.0 109.344 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 29.5 t -102.94 128.44 49.74 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.19 -32.03 73.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -67.21 -38.13 84.77 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.49 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 6.0 tp-100 -60.61 -53.47 57.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.212 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 16' ' ' ILE . 60.7 t -57.05 -48.96 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.969 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.38 -45.48 84.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.025 0.44 . . . . 0.0 110.841 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.2 m -65.42 -39.63 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 19' ' ' ILE . 38.8 tp -62.12 -47.11 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.003 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 12' ' ' VAL . 38.4 mm -55.36 -49.85 69.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 110.478 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.569 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.28 -40.67 90.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.648 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' B' ' 19' ' ' ILE . 69.8 mt -62.76 -42.25 95.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.28 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.3 mt -65.69 -33.94 77.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.617 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 17' ' ' ALA . 66.0 t -62.05 -33.46 58.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.471 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' B' ' 22' ' ' VAL . 63.9 t -64.29 -51.56 66.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.921 176.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 33' ' ' SER . 96.1 mt -55.41 -43.98 75.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.22 -33.23 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.51 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.149 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -92.02 -6.74 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.48 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.32 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.191 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.62 127.23 27.18 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.862 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.8 162.22 19.29 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.443 2.095 . . . . 0.0 111.467 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.5 m -51.91 -39.44 59.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.467 . . . . 0.0 110.614 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.78 -52.93 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.532 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.847 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 23' ' ' LEU . 58.0 m -64.2 -45.5 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.664 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.2 mt -58.43 -39.77 80.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.293 176.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.84 -57.75 10.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 111.18 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.608 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -74.78 -28.3 60.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.06 -176.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' HD23 ' A' ' 37' ' ' LEU . . . -66.09 -49.47 57.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.471 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -66.87 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.434 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.1 t -61.13 -50.38 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.173 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' B' ' 37' ' ' LEU . 61.2 t -52.11 -53.71 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.308 177.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -39.09 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.076 0.465 . . . . 0.0 111.005 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -67.79 -24.23 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 87.8 mt -68.46 -40.51 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.36 . . . . 0.0 110.145 175.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.04 -38.61 91.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.251 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 24.4 mm-40 -64.84 -21.57 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.003 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 9.0 ptp180 -105.76 -50.22 3.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 50.8 mttp -90.69 -10.65 42.32 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -172.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.3 t -123.79 133.22 24.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.424 . . . . 0.0 111.465 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.576 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 37.5 Cg_exo -61.69 148.26 93.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.695 2.263 . . . . 0.0 111.12 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -54.5 -42.1 70.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 0.0 111.364 -175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.6 mp0 -58.92 -33.56 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.544 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 m -93.19 -23.3 18.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.672 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.7 mtt180 -54.55 -47.78 72.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.532 ' HG3' ' HG2' ' B' ' 70' ' ' LYS . 6.6 tt0 -62.14 -40.95 97.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.973 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.91 88.06 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.95 -40.1 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.703 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' B' ' 69' ' ' VAL . . . -58.25 -50.25 74.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.396 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -58.4 -43.2 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.97 -39.98 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.414 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.2 -42.82 99.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.711 0.291 . . . . 0.0 110.253 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.88 -43.54 90.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.32 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 32.2 ttmt -60.68 -51.96 67.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.567 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.95 99.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.565 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.77 -49.18 78.63 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.366 0.603 . . . . 0.0 110.144 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.82 91.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 13.9 mm100 -66.47 -34.11 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.167 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 t -62.51 -34.4 76.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.7 t -87.51 -42.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.159 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.193 -174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 p -70.73 -20.95 62.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -87.29 -8.65 56.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.077 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.92 2.48 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.6 -15.58 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.579 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -68.22 92.38 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 173.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -170.03 138.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.051 0.453 . . . . 0.0 111.22 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -118.84 120.44 37.33 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -82.62 69.96 9.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -167.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 p80 56.67 148.76 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.79 1.636 . . . . 0.0 114.237 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.7 t60 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 170.493 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.612 0.244 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.59 -41.55 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.81 102.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.092 0.472 . . . . 0.0 110.583 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.902 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -77.47 66.82 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -73.99 -43.48 57.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.288 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -102.58 121.77 43.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.0 t -60.03 134.15 56.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.95 -28.71 70.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -69.33 -38.95 78.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.391 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -62.48 -55.41 27.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.543 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 11.4 t -65.01 -39.21 84.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.389 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -54.18 -56.74 15.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.629 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 50.9 m -69.26 -27.22 65.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.274 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.504 ' O ' HG13 ' B' ' 19' ' ' ILE . 32.4 tp -66.46 -43.32 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 84.7 mt -61.2 -41.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.669 174.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.554 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.47 -38.45 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.008 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' B' ' 14' ' ' SER . 22.7 mm-40 -57.21 -49.9 74.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.325 0.583 . . . . 0.0 110.013 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -63.34 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.552 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.9 mt -61.79 -40.22 94.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.988 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 17' ' ' ALA . 65.0 t -61.01 -42.24 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 22' ' ' VAL . 58.7 t -56.42 -55.82 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.978 0.418 . . . . 0.0 110.61 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.722 HD11 HD21 ' B' ' 37' ' ' LEU . 62.4 mt -57.12 -47.65 80.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.838 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.97 -29.95 61.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -65.84 -44.17 86.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.046 0.45 . . . . 0.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -77.91 -7.18 56.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 tttp 54.79 58.8 4.52 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.474 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.42 116.31 62.99 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.065 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.96 167.46 7.18 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.634 2.222 . . . . 0.0 111.479 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -50.72 -42.15 56.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.307 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.3 -55.56 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.497 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -76.42 -34.6 58.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.658 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -67.64 -46.37 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.5 0.19 . . . . 0.0 111.119 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.43 -37.88 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.83 -40.98 94.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.318 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.13 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.059 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.722 HD21 HD11 ' B' ' 23' ' ' LEU . 4.4 mm? -59.86 -35.97 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.356 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.22 -38.27 94.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.355 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -82.36 -20.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.568 0.223 . . . . 0.0 111.099 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.74 -50.16 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.652 0.263 . . . . 0.0 110.362 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 37' ' ' LEU . 56.5 t -57.76 -46.12 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.336 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -38.58 79.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.821 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.38 -32.46 74.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.598 0.237 . . . . 0.0 110.738 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.32 -43.91 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 0.0 109.94 175.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.729 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 91.0 mt -64.59 -51.0 64.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.214 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.2 mm-40 -63.23 -18.15 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -100.14 -56.33 2.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.519 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -84.29 -42.56 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.91 127.88 41.41 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.125 -171.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.37 148.56 86.06 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.552 2.168 . . . . 0.0 111.243 174.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.476 ' HA ' ' HB3' ' B' ' 54' ' ' ARG . 22.9 t -50.81 -35.27 31.33 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -50.25 -51.48 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.467 0.479 . . . . 0.0 111.22 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m -94.41 -23.14 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.905 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 36.2 ttm180 -52.91 -53.71 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.36 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.486 HE21 ' C ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.72 -33.69 74.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.287 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.12 80.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.227 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.69 -39.2 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.24 -50.38 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.11 -38.78 89.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.544 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -68.12 -44.51 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.397 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.7 -43.56 98.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.211 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.2 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -66.22 -41.74 89.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 0.0 111.076 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.4 tp -66.87 -48.26 69.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.987 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -61.29 -42.69 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.903 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -54.18 -48.87 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.375 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -65.76 -34.99 79.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.541 0.21 . . . . 0.0 111.498 -176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.483 HG21 ' HB2' ' A' ' 58' ' ' ALA . 58.0 t -67.5 -46.31 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.483 0.659 . . . . 0.0 110.362 175.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.532 ' HG2' ' HG3' ' A' ' 55' ' ' GLN . 34.4 mtpt -74.96 -1.53 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.884 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 60.5 m -78.11 -7.29 56.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.183 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -21.61 66.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.294 0.569 . . . . 0.0 110.347 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.6 mt -98.61 7.53 46.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.332 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.83 137.84 58.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.402 0.144 . . . . 0.0 110.712 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.6 m80 67.47 2.42 2.91 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -99.71 107.17 19.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.833 0.349 . . . . 0.0 110.068 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' B' ' 78' ' ' HIS . 7.1 t-80 -113.87 -97.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.816 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' B' ' 77' ' ' HIS . 40.5 t-80 162.36 -64.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.646 0.778 . . . . 0.0 109.225 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -92.23 146.55 23.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 119.131 -0.461 . . . . 0.0 109.945 178.056 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 178.91 4.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.265 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.46 84.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -150.37 25.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.501 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -80.63 69.97 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.992 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 69.6 -68.29 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.207 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -163.29 170.53 17.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' H ' ' HB3' ' A' ' 11' ' ' GLN . 19.8 m -140.26 175.28 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.029 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.22 -51.04 65.71 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.26 0.35 . . . . 0.0 111.255 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -63.43 -31.13 72.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' SER . 24.7 tp60 -68.7 -45.98 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.186 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.49 -44.68 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.25 -43.99 71.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.84 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -61.98 -40.51 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.6 mp -69.85 -45.83 66.92 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.855 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.4 mt -55.34 -47.38 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 O-C-N 123.24 0.338 . . . . 0.0 110.495 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.8 -38.4 81.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.461 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -68.62 -40.83 80.19 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.058 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' B' ' 19' ' ' ILE . 37.5 mt -65.87 -35.23 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.843 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 78.8 mt -64.2 -35.06 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.5 t -59.3 -40.94 82.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.7 t -58.63 -56.24 17.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 175.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.4 -44.31 72.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.752 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.78 -29.93 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.241 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.79 -43.11 76.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.107 0.48 . . . . 0.0 110.72 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -88.55 -8.69 54.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.884 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 3.9 ttmp? 58.48 59.05 3.11 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.717 0.77 . . . . 0.0 109.328 -174.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.63 124.63 75.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.37 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.53 172.5 13.27 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.62 2.213 . . . . 0.0 111.517 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.46 ' OG1' ' HG3' ' B' ' 48' ' ' LYS . 18.2 m -63.42 -32.55 74.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.003 0.43 . . . . 0.0 110.87 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.69 -52.12 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.127 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 tp -71.32 -33.77 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.349 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.4 p -68.76 -42.95 76.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.54 -41.37 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.35 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.6 tpp -60.71 -46.7 89.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.661 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.66 79.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.646 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 3.4 mm? -56.39 -49.36 74.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.807 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -19.05 58.73 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.078 -177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -95.11 -44.18 7.77 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.667 -0.314 . . . . 0.0 111.155 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 37' ' ' LEU . 27.1 p -67.98 -42.53 80.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.235 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' B' ' 37' ' ' LEU . 62.2 t -60.13 -47.42 92.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.135 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.52 ' OG1' HD22 ' B' ' 65' ' ' LEU . 4.3 m -75.82 -20.3 58.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.494 -174.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -74.12 -39.66 63.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.8 -37.27 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.273 0.559 . . . . 0.0 109.721 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.655 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 tt -66.62 -24.24 66.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.328 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.77 -45.06 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -81.77 -39.61 23.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.277 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -100.39 -0.32 38.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.832 -170.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.655 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 63.5 t -123.72 130.94 24.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.295 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 10.0 Cg_endo -54.58 149.91 37.46 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.927 2.418 . . . . 0.0 112.403 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.8 p -49.22 -56.78 8.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.914 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.22 -36.81 85.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 9.3 t -75.25 -19.38 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 -174.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.8 mtt180 -53.59 -43.29 68.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.212 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 46.5 mt-30 -59.73 -52.84 63.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.646 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.27 -48.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.884 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.2 95.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.008 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 45.9 mt-10 -61.47 -49.23 77.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.666 0.27 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.66 -46.93 83.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.66 -47.28 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -63.9 -39.36 94.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -67.28 -40.15 86.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.39 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.97 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.477 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.1 tp -61.09 -55.74 29.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.272 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.93 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.56 -46.12 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.489 ' HA ' ' OG ' ' A' ' 71' ' ' SER . 13.2 p -67.26 -23.9 65.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.378 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 65' ' ' LEU . 58.9 t -72.43 -28.68 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.497 . . . . 0.0 110.167 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -90.19 -33.47 16.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.489 ' OG ' ' HA ' ' A' ' 68' ' ' SER . 19.4 p -74.96 -1.08 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 111.829 -177.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -94.2 -4.13 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.219 0.533 . . . . 0.0 110.256 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.66 -17.44 51.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.292 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 71' ' ' SER . 10.6 pt-20 -77.81 141.14 39.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.18 112.99 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -86.37 51.02 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.33 0.586 . . . . 0.0 110.994 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -124.67 156.95 36.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.379 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -81.04 112.19 18.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -80.49 116.14 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.033 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.314 -177.812 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.7 mtt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.446 0.165 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.59 6.37 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 3' ' ' ILE . 22.9 pt -109.19 94.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.661 0.743 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -105.43 -48.31 3.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.3 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -81.77 90.78 6.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.828 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -151.59 4.14 0.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.979 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 57.43 -166.41 0.14 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.612 170.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.64 132.8 36.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -58.21 -36.15 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.6 m -63.01 -35.36 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -75.93 -49.11 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.457 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -41.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.449 . . . . 0.0 110.069 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.82 -47.33 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.758 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -61.82 -37.28 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.601 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.511 ' O ' HG13 ' B' ' 19' ' ' ILE . 8.8 mp -62.01 -61.14 2.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.246 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -53.8 -39.99 41.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.762 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.16 -60.28 3.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.715 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.15 -33.93 75.39 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.553 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' A' ' 19' ' ' ILE . 73.5 mt -61.52 -45.2 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.031 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.8 -35.92 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.615 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 17' ' ' ALA . 32.8 t -55.97 -48.02 79.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.757 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 22' ' ' VAL . 79.4 t -60.36 -47.25 93.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.068 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.747 HD11 HD21 ' B' ' 37' ' ' LEU . 58.0 mt -63.76 -44.07 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.25 -32.24 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.7 -35.8 77.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.83 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 37.1 m170 -72.49 -28.03 62.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.08 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 53.81 44.46 29.52 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 122.07 0.938 . . . . 0.0 108.667 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 143.15 82.11 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.407 -1.269 . . . . 0.0 111.261 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.54 158.89 21.74 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.859 2.373 . . . . 0.0 111.579 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m -61.42 -35.85 78.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.736 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.15 -52.99 62.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.502 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.37 -30.03 69.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.492 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.481 ' O ' HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.5 -55.67 14.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.408 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.07 -37.72 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.91 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -65.07 -46.13 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.421 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.4 69.95 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.857 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.747 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.32 -39.47 93.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.332 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -48.67 78.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 35.4 m-80 -64.07 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.971 0.415 . . . . 0.0 110.653 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -67.43 -32.47 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.871 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 37' ' ' LEU . 41.3 t -69.46 -50.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.903 0.382 . . . . 0.0 110.249 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.6 p -67.28 -38.91 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.869 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.2 OUTLIER -63.95 -16.33 61.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -177.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.96 -45.58 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.362 . . . . 0.0 110.172 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 78.8 mt -59.93 -48.65 80.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -75.77 -2.27 29.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.798 0.332 . . . . 0.0 111.56 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -101.05 -49.75 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.559 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.46 ' HG3' ' OG1' ' A' ' 30' ' ' THR . 31.3 mmmt -117.7 6.28 12.38 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 38.7 t -123.58 130.97 24.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.445 0.164 . . . . 0.0 110.803 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.619 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 17.8 Cg_endo -61.12 153.09 67.12 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.862 2.375 . . . . 0.0 111.874 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -53.12 -38.99 63.11 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.86 -50.6 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.252 0.549 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -75.2 -21.52 58.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.53 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.8 mtt180 -53.02 -49.06 67.02 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.72 0.295 . . . . 0.0 110.722 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -71.07 -39.04 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.89 87.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.863 0.363 . . . . 0.0 111.332 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.22 -37.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.075 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.46 -32.25 71.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.598 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 50.9 t80 -59.72 -49.16 78.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.869 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.5 -42.49 96.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.928 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.12 -37.24 86.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.073 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.24 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.957 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.8 mt -63.52 -51.24 66.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.218 0.532 . . . . 0.0 109.642 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.41 83.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.493 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' B' ' 71' ' ' SER . 35.0 tt0 -62.93 -42.68 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.738 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -64.92 -26.85 68.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.358 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -95.69 -52.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 111.284 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -79.25 -37.45 37.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -169.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 67' ' ' GLN . 47.0 t -69.74 -7.42 39.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.738 0.304 . . . . 0.0 111.338 -176.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -79.8 -48.31 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.2 -27.13 35.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.904 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -70.45 150.97 45.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.138 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -126.06 174.65 8.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.051 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 77' ' ' HIS . 57.4 m-70 -73.28 78.68 1.32 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.919 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 76' ' ' HIS . 82.5 t60 175.41 126.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.707 174.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -95.51 -174.64 3.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -68.2 -43.28 78.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.993 172.318 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.93 0.395 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.81 138.67 45.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.67 -45.86 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.021 0.438 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -87.93 108.2 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.158 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -73.99 -176.78 2.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.353 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.487 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 46.6 mtpt -57.1 -57.51 12.28 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.533 0.682 . . . . 0.0 110.388 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.7 165.32 36.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.666 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 t -82.69 134.65 35.15 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.803 0.335 . . . . 0.0 110.303 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -76.61 -35.44 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.817 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.7 -45.58 93.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.41 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 HD11 ' B' ' 32' ' ' LEU . 39.8 t -60.29 -45.63 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.38 -47.76 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.777 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 t -61.56 -38.26 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.656 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.3 tp -63.23 -51.32 66.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.443 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 19' ' ' ILE . 74.2 mt -59.21 -40.67 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.66 -46.21 81.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.846 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' B' ' 26' ' ' HIS . 9.5 mm-40 -61.37 -41.58 97.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' B' ' 19' ' ' ILE . 47.4 mt -61.95 -44.61 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.359 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.54 -40.85 96.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.821 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 17' ' ' ALA . 64.0 t -65.26 -33.73 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' B' ' 22' ' ' VAL . 54.5 t -64.44 -44.33 97.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.314 . . . . 0.0 110.481 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.9 -34.02 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.933 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 11.1 tp10 -61.07 -44.38 97.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.791 0.329 . . . . 0.0 110.392 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 21' ' ' VAL . 61.1 mttm -61.58 -24.02 66.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.274 0.559 . . . . 0.0 110.586 176.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' ND1' ' HG ' ' B' ' 15' ' ' LEU . 57.1 m170 -84.86 -30.87 24.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.548 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 57.4 40.66 27.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.632 0.729 . . . . 0.0 109.966 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -78.44 137.29 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.676 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 18.4 Cg_exo -67.01 167.72 19.15 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.216 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -51.08 -40.31 58.09 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.491 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 35' ' ' MET . 4.8 m-20 -55.23 -66.1 0.47 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.124 0.488 . . . . 0.0 110.911 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' B' ' 7' ' ' TYR . 38.2 tp -62.54 -30.09 71.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.284 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 37' ' ' LEU . 23.2 t -63.06 -51.36 67.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.263 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.73 -38.05 89.66 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.456 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 91.8 mmm -61.08 -41.87 97.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.527 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.22 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -57.02 -48.51 78.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.15 87.34 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.191 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -78.05 -46.54 20.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.59 -0.359 . . . . 0.0 111.656 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.1 p -66.08 -38.29 87.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.215 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG22 ' HB3' ' B' ' 37' ' ' LEU . 97.4 t -63.47 -48.19 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.504 ' OG1' ' HG ' ' B' ' 65' ' ' LEU . 42.9 m -63.14 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.646 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.55 -28.02 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.9 mt -63.91 -59.34 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.691 0.281 . . . . 0.0 110.897 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.5 -7.46 57.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 111.174 -178.673 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -38.57 36.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.157 0.503 . . . . 0.0 110.362 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -97.71 -19.84 17.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.196 -172.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -115.77 -7.3 12.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 59.2 t -123.34 129.0 25.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.791 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.94 150.47 37.78 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.153 2.569 . . . . 0.0 111.908 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -39.81 72.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -60.13 -36.47 77.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 57' ' ' VAL . 49.1 m -97.45 -15.43 20.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.129 0.49 . . . . 0.0 110.876 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG2' HG13 ' B' ' 69' ' ' VAL . 33.3 ttm180 -57.58 -39.81 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.216 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.09 -38.36 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.586 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.21 65.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.547 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 53' ' ' SER . 98.7 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.292 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.16 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.9 -49.94 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.56 -35.2 80.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.59 -44.12 75.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.164 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.36 -46.43 88.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.56 88.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.01 -50.79 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.341 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.38 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.397 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.43 -32.69 73.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.468 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -66.42 -37.72 85.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.377 . . . . 0.0 110.333 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.65 -40.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.036 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.74 -27.27 69.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 56.3 m -64.83 -24.84 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.189 0.519 . . . . 0.0 110.439 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -72.62 -32.96 66.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.184 0.516 . . . . 0.0 109.725 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' B' ' 51' ' ' SER . 3.9 mm? -86.37 -49.3 7.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' CD ' ' HD1' ' A' ' 76' ' ' HIS . 9.3 tp10 -117.52 112.2 20.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.107 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' SER . 6.1 p-80 -152.57 29.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.17 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.433 ' HD1' ' CD ' ' A' ' 74' ' ' GLU . 39.9 p-80 -53.73 116.9 2.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.507 0.67 . . . . 0.0 111.033 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -124.5 81.49 1.95 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.429 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -91.38 -16.69 27.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -81.72 96.02 7.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.806 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.954 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.512 0.196 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.12 33.1 22.65 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.323 0.582 . . . . 0.0 110.218 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.69 130.42 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.609 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.411 ' HB3' ' H ' ' B' ' 5' ' ' SER . 18.2 tt0 -166.53 -93.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.912 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.411 ' H ' ' HB3' ' B' ' 4' ' ' GLN . 69.9 m -163.47 122.84 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -91.83 -8.41 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 177.299 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.404 ' CD1' HD13 ' A' ' 32' ' ' LEU . 97.1 m-85 -127.51 93.68 3.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.809 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -58.25 139.5 54.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.676 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.194 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.26 -56.01 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.048 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 16' ' ' ILE . 50.7 t -60.52 -43.97 95.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.611 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.68 -43.19 89.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 35.4 t -62.64 -39.56 94.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.33 . . . . 0.0 110.43 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.635 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.8 mp -63.69 -49.27 73.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.265 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 12' ' ' VAL . 37.1 mm -54.74 -48.81 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.528 0.518 . . . . 0.0 110.894 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -54.56 -49.06 71.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.465 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 31.6 mt-10 -65.56 -34.24 77.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' A' ' 19' ' ' ILE . 21.2 mt -69.79 -38.23 75.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.397 0.618 . . . . 0.0 109.769 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 87.4 mt -67.96 -33.19 74.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.768 175.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 17' ' ' ALA . 54.1 t -61.18 -37.42 77.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.298 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 22' ' ' VAL . 76.7 t -59.69 -53.76 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.174 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.01 -52.13 46.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.373 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.97 -37.77 88.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.84 -22.75 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 77.1 m80 -106.03 6.46 31.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.62 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.41 45.1 23.32 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 111.312 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.55 120.43 74.15 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.03 171.13 7.93 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.642 2.228 . . . . 0.0 111.569 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -57.92 -38.29 75.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.78 -52.78 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.826 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.577 HD11 HG22 ' A' ' 12' ' ' VAL . 28.7 tp -69.41 -30.79 68.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.692 -176.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -53.19 58.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.63 -39.16 87.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 110.533 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.76 -51.76 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.21 70.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.698 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mm? -63.47 -36.6 84.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.032 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.34 -51.45 57.97 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.089 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.53 -31.24 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 t -61.83 -46.19 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 37' ' ' LEU . 52.1 t -61.3 -50.51 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -38.28 81.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.019 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.88 -37.24 84.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.6 mt -66.97 -48.87 67.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.72 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 75.0 mt -61.7 -38.58 88.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.081 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.23 -35.47 77.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.074 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.64 -42.7 9.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.595 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 48' ' ' LYS . 63.9 mmtt -82.98 -43.76 16.03 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.54 130.45 23.23 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.31 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.15 148.4 40.34 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.047 2.498 . . . . 0.0 112.2 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.517 ' HB3' HD11 ' A' ' 73' ' ' LEU . 21.7 m -47.25 -44.42 22.87 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -171.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.1 pm0 -69.26 -44.31 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.207 -0.308 . . . . 0.0 111.028 -176.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . 23.8 t -74.56 -28.53 60.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 31.1 ttm180 -54.08 -45.44 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.197 175.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -68.14 -39.18 82.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.9 86.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' SER . 65.8 t -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.334 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.18 96.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.67 -46.85 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.342 0.591 . . . . 0.0 110.699 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.41 -30.0 53.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.986 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.72 -51.67 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.094 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -61.59 -34.12 75.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -69.02 -37.96 78.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.891 178.589 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.61 95.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' OG1' ' A' ' 42' ' ' THR . 9.8 mp -63.1 -48.79 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.585 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.7 89.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.3 -38.69 88.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.9 t -62.48 -47.27 84.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.428 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 54' ' ' ARG . 94.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -71.45 -26.2 62.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.998 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -77.71 -19.56 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.699 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.87 -21.73 64.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.101 0.477 . . . . 0.0 109.872 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.06 -0.83 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.235 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.65 -50.66 62.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -92.12 101.25 13.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.376 0.608 . . . . 0.0 109.717 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -118.51 108.26 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.491 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -97.5 33.86 1.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.471 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' B' ' 80' ' ' HIS . 7.4 t60 68.86 -12.09 0.4 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.384 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 64.71 24.6 12.93 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.57 0.7 . . . . 0.0 109.265 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.414 ' HB3' ' CD2' ' B' ' 78' ' ' HIS . 77.7 t60 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.609 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.622 0.249 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.29 -80.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.88 125.99 61.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.372 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 68.13 -76.82 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.678 0.611 . . . . 0.0 110.326 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m 61.19 -86.26 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.328 0.651 . . . . 0.0 111.813 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -130.35 10.12 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 111.015 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -142.91 -174.75 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.922 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.2 t -127.74 128.36 45.23 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.39 -43.41 83.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.85 0.357 . . . . 0.0 110.186 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 m -60.19 -43.27 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.655 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -62.37 -49.16 76.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.678 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.9 t -58.82 -47.76 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.429 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.4 -42.38 95.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.318 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.5 t -62.84 -39.24 93.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -67.15 -41.71 85.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.801 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.7 mt -57.37 -47.48 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.6 -35.61 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.279 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.13 -49.08 66.08 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 110.28 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' B' ' 19' ' ' ILE . 51.0 mt -60.3 -37.44 73.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.77 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 76.3 mt -63.32 -40.55 97.62 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.14 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' ALA . 83.0 t -56.41 -44.11 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.92 0.39 . . . . 0.0 110.601 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' B' ' 22' ' ' VAL . 67.9 t -59.01 -46.13 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.489 HD11 HD21 ' A' ' 37' ' ' LEU . 95.2 mt -62.82 -41.6 99.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.688 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 45.1 mt-10 -59.71 -39.26 84.03 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -59.47 -29.13 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.658 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 28.9 m170 -83.43 -29.4 28.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.879 -177.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 56.27 46.27 21.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.619 0.723 . . . . 0.0 109.224 -170.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -77.75 136.44 63.09 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.107 -176.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 22.1 Cg_exo -65.83 164.11 28.22 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.736 2.291 . . . . 0.0 111.741 177.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.62 -37.69 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.328 0.585 . . . . 0.0 111.074 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.6 -45.58 86.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.575 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.21 -37.9 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.166 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.402 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.1 p -64.51 -48.04 76.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.865 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.45 -38.24 80.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.897 0.379 . . . . 0.0 110.594 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.19 -46.88 82.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.857 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' B' ' 41' ' ' VAL . 3.9 mm? -58.8 -44.75 90.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.989 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -48.44 83.95 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.478 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.91 -37.71 88.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.1 t -61.36 -53.42 56.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' B' ' 37' ' ' LEU . 84.5 t -57.87 -45.29 87.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 m -62.92 -39.85 95.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -72.95 -28.69 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 97.4 mt -68.9 -44.9 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.37 -25.78 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.386 177.173 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -72.45 -49.29 34.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -90.55 -42.04 11.04 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -169.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.82 -7.06 47.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 46.5 t -123.42 124.57 26.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.613 0.244 . . . . 0.0 110.915 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.08 150.0 86.42 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.031 2.487 . . . . 0.0 112.009 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 p -49.77 -43.61 48.25 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.15 -47.81 71.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -90.3 -12.27 38.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.385 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -61.58 -39.79 92.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.433 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HA ' HG11 ' B' ' 69' ' ' VAL . 34.4 tt0 -77.26 -35.48 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.25 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.552 ' HB ' HD21 ' A' ' 45' ' ' LEU . 90.3 t -66.87 -36.33 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.04 79.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.3 -53.96 52.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.016 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.95 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.341 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.27 -46.68 87.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.19 -40.83 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.119 0.485 . . . . 0.0 111.3 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -75.71 -35.81 60.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.733 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.5 -36.16 82.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.37 -49.9 76.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.177 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.46 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.025 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.45 -30.59 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 m -66.27 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.238 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.21 -29.95 38.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.573 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.466 ' HA ' HD13 ' A' ' 73' ' ' LEU . 32.2 mmtp -66.03 -7.85 19.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.261 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -60.41 -30.71 69.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.015 0.435 . . . . 0.0 110.845 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.406 HD21 ' CD ' ' B' ' 46' ' ' GLU . 41.6 m-80 -76.05 -41.41 50.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.577 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 70' ' ' LYS . 6.4 mp -70.1 -60.13 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.339 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.8 88.8 4.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.258 0.551 . . . . 0.0 111.251 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -104.5 17.23 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.689 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 71.52 -68.27 0.23 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.964 -1.016 . . . . 0.0 112.205 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 65.63 -78.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.124 0.57 . . . . 0.0 110.186 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -173.56 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 74.22 -63.24 0.43 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.257 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.634 -0.698 . . . . 0.0 109.204 177.619 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.547 0.213 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 176.73 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.67 55.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.232 0.539 . . . . 0.0 110.763 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 14.5 mm-40 62.68 4.32 1.38 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 172.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m 57.94 84.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.207 0.317 . . . . 0.0 110.742 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.45 -38.18 66.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -115.21 121.24 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.367 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -56.02 139.84 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -60.07 -35.03 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -70.99 -22.62 62.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -76.18 -52.39 10.16 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.61 -46.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.244 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.9 -43.62 98.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.451 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 35.7 t -56.21 -51.79 66.77 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.55 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.9 mp -57.56 -54.01 51.7 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 87.6 mt -54.74 -47.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -64.57 -43.12 94.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.282 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 12.8 pt-20 -77.84 -22.83 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.263 -173.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' A' ' 19' ' ' ILE . 65.3 mt -73.79 -34.89 41.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.6 mt -64.39 -37.0 85.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.933 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 17' ' ' ALA . 69.5 t -58.05 -40.2 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.404 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 22' ' ' VAL . 45.0 t -55.03 -56.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.23 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.675 HD11 HD21 ' B' ' 37' ' ' LEU . 94.9 mt -57.1 -51.91 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.404 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.09 -28.69 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -68.81 -27.34 65.77 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.981 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -110.06 6.17 22.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 110.004 170.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tttp 44.13 43.93 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.975 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 127.8 3.03 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.826 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.56 168.36 4.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.304 2.669 . . . . 0.0 112.703 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -58.24 -51.93 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.555 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.95 -50.42 73.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.74 -38.76 82.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.927 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.2 m -61.68 -49.79 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.426 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.17 -39.19 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 91.8 mtp -64.49 -51.07 64.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.43 76.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.04 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.675 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.3 -44.34 91.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.368 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.55 -47.02 92.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.437 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.04 -29.33 67.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.568 0.223 . . . . 0.0 110.673 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.44 -46.44 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.719 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 37' ' ' LEU . 80.3 t -58.22 -45.01 89.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.005 0.431 . . . . 0.0 110.238 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.8 m -66.31 -39.55 89.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.456 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -58.42 -37.83 76.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.128 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 95.8 mt -64.01 -47.24 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.797 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 84.6 mt -62.38 -41.92 99.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.46 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 42' ' ' THR . 8.5 mm-40 -57.94 -52.64 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -102.11 6.07 40.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -169.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' B' ' 44' ' ' LEU . 72.9 mmtt -120.14 -50.34 2.26 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.938 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 t -97.08 133.05 24.6 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.865 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.39 141.71 89.21 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.748 2.299 . . . . 0.0 111.046 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -49.53 -39.02 32.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.966 0.506 . . . . 0.0 112.338 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.5 mp0 -59.58 -51.49 69.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.446 ' O ' HG23 ' B' ' 57' ' ' VAL . 20.5 t -77.99 -27.07 48.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.211 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.797 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 37.1 ttm180 -53.21 -49.61 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.09 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.14 -44.22 97.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.323 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.44 97.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.824 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 53' ' ' SER . 96.7 t -65.41 -44.85 94.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.345 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.12 82.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.04 -36.96 78.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.255 0.55 . . . . 0.0 110.158 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.56 -46.56 82.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.285 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -58.04 -41.83 84.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.49 -52.11 65.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.72 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.46 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.05 -54.34 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.125 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -63.86 -39.19 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.386 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.14 -39.38 82.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.583 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.1 m -65.12 -39.55 93.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.362 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.501 HG11 ' HA ' ' A' ' 55' ' ' GLN . 49.1 t -71.99 -34.87 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.855 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 68.5 mttm -61.7 -43.05 99.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.743 177.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' B' ' 74' ' ' GLU . 7.4 t -72.1 -7.64 50.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 7.4 t30 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.495 0.664 . . . . 0.0 109.338 172.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.73 -52.04 3.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.535 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' B' ' 71' ' ' SER . 38.8 mt-10 -81.41 102.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.616 176.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -81.96 -162.32 0.53 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.133 -174.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -57.53 126.92 29.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.837 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.79 -66.34 0.56 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.979 -171.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -118.1 123.55 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.907 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -133.86 -42.66 0.82 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.482 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.451 -179.489 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mtm . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.733 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -118.14 130.59 56.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.951 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -88.65 -68.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -105.5 -3.37 22.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.733 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 2.9 m -76.08 84.95 2.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.723 -177.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -73.03 -34.8 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -133.44 163.35 29.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.453 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p -87.36 145.99 26.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.05 -31.76 71.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.924 0.392 . . . . 0.0 110.357 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -60.56 -44.59 95.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.708 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -66.0 -44.95 83.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.779 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.1 -48.37 84.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.17 -38.11 78.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -62.17 -43.98 97.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.589 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.9 tt -60.71 -47.51 85.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.683 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.3 mt -59.13 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.17 -39.99 84.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.66 -47.99 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.153 0.502 . . . . 0.0 110.336 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' LEU . 8.0 mt -64.59 -37.04 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.325 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 89.1 mt -66.12 -36.75 83.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.939 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 73.7 t -59.08 -44.11 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.352 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' B' ' 22' ' ' VAL . 87.6 t -63.81 -35.15 72.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.157 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.78 -41.13 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -66.45 -34.23 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.211 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 71.0 mmtt -58.15 -43.27 87.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.541 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -99.82 -14.21 18.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 56.72 71.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.36 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.81 124.14 69.54 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.361 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.02 171.08 6.57 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.433 2.089 . . . . 0.0 111.784 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.7 m -53.91 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 0.0 110.96 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.1 -51.15 70.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.82 -38.73 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.774 -176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m -63.02 -45.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.086 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 30' ' ' THR . 94.0 mt -60.81 -41.11 95.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 0.0 110.74 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.51 -45.64 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.997 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mm? -59.6 -50.24 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.98 -45.47 95.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.842 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.39 -34.88 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 0.162 . . . . 0.0 111.064 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 47.0 t -68.23 -35.06 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.659 0.266 . . . . 0.0 110.574 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 67.9 t -63.68 -48.79 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -63.6 -38.83 92.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.373 0.606 . . . . 0.0 109.937 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' ND1' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t-80 -48.54 -54.16 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.442 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.633 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 6.8 mt -72.83 -26.13 61.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.522 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 49' ' ' VAL . 88.2 mt -65.95 -44.83 83.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.915 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -79.46 -8.46 59.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.562 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -107.77 -52.04 2.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -115.64 13.14 16.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 45' ' ' LEU . 50.3 t -123.63 131.58 24.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 Cg_endo -50.55 145.36 22.58 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.119 2.546 . . . . 0.0 112.106 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 m -51.29 -56.63 11.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -169.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.62 -13.97 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.892 0.377 . . . . 0.0 111.411 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 45.7 t -86.27 -24.04 26.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.12 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 98.6 mtt180 -53.97 -48.16 70.62 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.881 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -38.33 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.976 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -62.28 -52.16 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.692 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.7 -38.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.38 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.18 83.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 75.0 mm-40 -60.89 -49.75 76.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 96.8 mt-30 -58.39 -52.74 64.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.13 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -61.42 -44.78 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.29 97.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 59' ' ' GLU . 37.4 mttm -74.37 -35.22 63.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.604 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.09 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.584 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.32 -49.28 74.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.553 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.34 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.935 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 6.3 tp60 -65.23 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.78 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -64.74 -35.36 80.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.834 0.35 . . . . 0.0 110.282 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' ASN . 88.5 t -77.01 -42.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.575 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.46 -42.65 92.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.445 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 44.5 m -80.75 -4.39 54.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.814 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 3.9 t-20 -73.32 -37.99 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' B' ' 51' ' ' SER . 98.2 mt -94.3 -57.1 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.842 175.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 71' ' ' SER . 0.0 OUTLIER 47.77 54.54 9.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.704 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.06 125.47 23.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.29 128.72 10.01 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.483 0.49 . . . . 0.0 111.37 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -55.19 -65.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.659 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 70.87 -58.1 0.58 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.691 0.619 . . . . 0.0 112.324 171.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -87.06 134.92 33.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.709 0.29 . . . . 0.0 110.513 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.1 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.996 179.057 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.987 0.422 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 98.45 11.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 tt -82.8 135.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.89 119.99 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.321 0.581 . . . . 0.0 110.736 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -81.35 149.59 28.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.318 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -63.81 -57.97 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.071 0.462 . . . . 0.0 109.84 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -86.42 89.68 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 170.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -79.23 144.97 33.85 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.444 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.53 -25.57 68.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.27 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -63.72 -38.7 92.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.26 0.552 . . . . 0.0 110.181 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.63 -50.13 59.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.363 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.424 ' O ' HG13 ' B' ' 16' ' ' ILE . 25.8 t -62.76 -43.05 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.13 -45.11 79.68 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -62.27 -41.01 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 tp -65.25 -45.29 85.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.369 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.44 HG22 HD22 ' B' ' 20' ' ' LEU . 88.0 mt -61.06 -43.57 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.658 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.602 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -58.0 -41.68 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.89 -45.71 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 9.4 pt -70.27 -29.97 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.885 0.374 . . . . 0.0 110.709 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.44 HD22 HG22 ' B' ' 16' ' ' ILE . 5.6 mp -69.4 -39.32 78.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 176.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 17' ' ' ALA . 70.0 t -56.46 -44.68 80.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' A' ' 22' ' ' VAL . 61.9 t -60.13 -53.05 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.4 ' HA ' ' ND1' ' B' ' 26' ' ' HIS . 94.7 mt -60.03 -43.02 95.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.7 -16.95 60.09 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.588 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' B' ' 21' ' ' VAL . 93.9 mttt -72.88 -15.53 61.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.222 0.534 . . . . 0.0 109.764 169.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.435 ' CE1' HG12 ' B' ' 22' ' ' VAL . 13.4 m170 -92.32 -22.99 19.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.813 173.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 tttt 50.56 62.38 2.72 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.113 -165.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD2' ' B' ' 29' ' ' PRO . . . -76.52 118.23 70.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.816 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 36.9 Cg_endo -66.19 164.05 29.37 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.603 2.202 . . . . 0.0 110.932 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -44.37 48.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.395 0.434 . . . . 0.0 111.645 -176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.31 -58.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.937 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.39 -30.98 66.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -71.55 -48.6 47.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.684 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.19 -34.73 77.0 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.2 tpp -59.93 -51.17 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.28 72.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.4 mm? -59.96 -47.14 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.376 -178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.53 -43.01 96.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.099 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 30.6 m-80 -69.01 -31.22 69.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.587 0.232 . . . . 0.0 111.281 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 16' ' ' ILE . 76.6 m -70.34 -33.06 71.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.538 0.209 . . . . 0.0 110.756 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 37' ' ' LEU . 58.1 t -68.02 -47.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.844 0.354 . . . . 0.0 110.366 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -69.19 -37.25 78.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.761 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.0 OUTLIER -54.13 -30.66 49.81 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.309 177.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.403 ' HG ' ' CE1' ' B' ' 43' ' ' HIS . 66.9 mt -85.98 -44.61 12.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 110.64 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 35.3 mt -61.72 -35.51 78.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.24 -178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.87 -38.21 19.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -39.12 17.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 10.4 mmpt? -98.46 -37.52 9.56 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.784 -173.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 26.9 t -96.26 131.3 28.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.726 0.298 . . . . 0.0 111.03 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.518 ' HB2' ' OE1' ' B' ' 52' ' ' GLU . 22.1 Cg_exo -65.28 150.29 87.52 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 111.435 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.507 ' HB3' HD21 ' A' ' 73' ' ' LEU . 3.5 m -54.39 -40.26 68.04 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -170.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -66.28 -50.09 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.425 0.631 . . . . 0.0 110.004 -178.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.422 ' O ' HG23 ' B' ' 57' ' ' VAL . 9.8 m -70.74 -25.49 62.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' B' ' 51' ' ' SER . 37.7 ttm180 -57.53 -44.43 85.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.811 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.93 -42.81 89.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.959 0.409 . . . . 0.0 110.712 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.65 -45.77 88.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.12 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 53' ' ' SER . 97.4 t -66.85 -40.95 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.798 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.87 -37.11 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.148 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -67.66 -39.56 84.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.513 . . . . 0.0 109.939 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.88 -46.43 89.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.15 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.88 79.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -60.24 -57.23 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.922 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.07 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 111.246 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.33 -62.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.585 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -66.38 -32.38 73.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.838 -173.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.57 -34.75 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.539 0.209 . . . . 0.0 110.437 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 69.4 m -64.67 -38.52 91.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.18 -42.06 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.925 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 63.6 mttp -62.48 -44.3 96.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.112 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 39.3 t -69.29 -28.91 66.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.736 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.88 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.701 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.17 -68.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.631 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 47.45 82.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.908 0.755 . . . . 0.0 111.907 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -103.64 157.4 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 68.37 17.88 9.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 109.995 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -146.13 135.44 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.08 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -128.03 148.44 50.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.696 0.284 . . . . 0.0 110.877 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -93.85 -34.79 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.22 177.579 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.824 0.345 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.17 23.02 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 pt -65.25 149.69 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.269 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.34 68.65 0.78 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.12 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -76.64 91.35 3.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.913 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -66.84 -43.32 84.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.892 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -136.05 147.66 48.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -84.76 138.14 32.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -57.59 -39.41 76.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.826 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -55.27 -38.96 69.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.748 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.492 HE22 HD22 ' A' ' 15' ' ' LEU . 17.7 tm0? -67.85 -57.35 6.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.17 -44.68 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.114 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.22 -47.51 84.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -70.66 -34.58 72.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.489 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 19' ' ' ILE . 45.5 tp -60.88 -53.25 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.087 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.09 -46.13 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.32 -46.21 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.67 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -69.63 -30.86 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -61.86 -45.15 99.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.69 0.757 . . . . 0.0 109.015 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.72 -35.77 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.623 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.6 t -57.85 -41.12 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 177.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.26 -54.21 38.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.617 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.11 -44.65 79.29 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.763 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -72.29 -32.38 66.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.255 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.34 -32.65 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -87.9 -0.05 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.133 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt 44.14 49.26 7.63 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.333 1.021 . . . . 0.0 111.098 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.28 132.42 86.07 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.724 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HD2' HD23 ' A' ' 32' ' ' LEU . 46.9 Cg_exo -57.23 162.05 10.25 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.442 2.095 . . . . 0.0 111.157 173.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -54.95 -45.03 74.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.94 0.4 . . . . 0.0 111.202 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.55 -32.81 70.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.465 -178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 47.6 tp -73.9 -39.89 63.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.686 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -60.31 -45.48 93.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.187 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.03 -37.58 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.904 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 tpp -61.23 -60.18 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.69 80.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 0.0 111.258 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' B' ' 41' ' ' VAL . 11.2 tp -66.19 -47.94 72.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.321 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.61 95.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 14.1 m120 -58.69 -50.55 73.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 174.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.29 -47.9 83.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.1 t -56.59 -50.55 73.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.536 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.454 ' OG1' HD22 ' B' ' 65' ' ' LEU . 3.1 m -78.86 -28.68 44.25 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' HD21 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -70.94 -23.48 62.25 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.162 0.505 . . . . 0.0 110.637 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 43.8 mt -75.83 -32.81 59.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.882 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.51 -36.08 73.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.011 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' ' HG3' ' A' ' 47' ' ' ARG . 35.7 mt-10 -59.77 -57.64 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.771 0.796 . . . . 0.0 111.735 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.57 ' HG3' ' HB2' ' A' ' 46' ' ' GLU . 11.8 mtt-85 -105.64 -3.03 22.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.22 -160.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 40.8 mmtm -111.06 -24.57 10.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.021 0.438 . . . . 0.0 110.514 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.48 135.29 24.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.568 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 34.8 Cg_exo -61.55 150.33 85.83 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.498 2.132 . . . . 0.0 112.124 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -46.67 -42.44 16.46 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.55 -43.23 81.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.4 t -82.29 -14.85 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.3 mtt180 -55.01 -48.14 73.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.793 0.33 . . . . 0.0 110.684 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 29.5 tt0 -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.797 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.09 74.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.06 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.37 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.44 69.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 29.5 mt-10 -68.33 -44.63 74.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.392 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.56 -37.22 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 111.102 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.13 -46.39 77.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.219 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 62' ' ' ALA . . . -61.11 -40.46 93.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 94.8 mttt -64.35 -47.95 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.93 -35.89 77.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 41' ' ' VAL . 10.6 tp -62.47 -54.45 39.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.12 82.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.092 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.42 -36.18 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.987 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.6 m -62.19 -36.79 82.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.337 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.57 -48.61 71.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.263 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -56.25 -47.4 78.6 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.029 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.628 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 70.1 m -83.53 0.07 48.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -86.22 -30.04 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.62 -52.42 3.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.107 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' HG2' ' HA ' ' A' ' 71' ' ' SER . 21.9 mt-10 64.33 -72.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.968 0.907 . . . . 0.0 112.622 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.8 96.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.134 0.493 . . . . 0.0 110.544 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -84.78 159.73 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.852 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -87.11 20.09 2.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -138.18 101.56 4.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.347 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -64.73 -52.09 58.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.925 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.188 176.621 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.049 0.452 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 163.63 40.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 tt -99.64 90.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 55.74 36.96 28.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.309 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -90.71 103.5 16.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -76.61 93.1 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.761 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 71.7 -168.2 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.84 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -146.93 119.05 8.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.34 -1.3 . . . . 0.0 108.447 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -57.0 -39.33 74.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.022 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -70.16 -31.95 69.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.315 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.27 -52.01 45.96 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 37.4 t -56.68 -44.15 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.267 0.556 . . . . 0.0 110.17 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.48 -41.75 99.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.701 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t -66.25 -38.6 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' B' ' 19' ' ' ILE . 7.2 mp -60.02 -58.03 10.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.579 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -50.77 -45.59 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 123.568 0.543 . . . . 0.0 111.335 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.38 -47.18 87.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.815 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.94 -33.68 64.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.314 . . . . 0.0 111.252 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.582 HG23 HG23 ' A' ' 19' ' ' ILE . 60.4 mt -64.82 -36.1 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 43' ' ' HIS . 77.9 mt -65.4 -34.82 79.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.622 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 17' ' ' ALA . 83.4 t -57.66 -43.26 83.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.315 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -49.14 68.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.345 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 95.2 mt -51.72 -45.24 63.53 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.47 174.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.75 -30.73 61.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -57.83 -44.59 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.7 -0.63 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 27' ' ' LYS . 2.3 ttpm? 48.5 70.36 0.46 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.897 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.44 123.2 57.31 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.219 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.42 173.02 5.76 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.793 2.329 . . . . 0.0 111.044 172.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -56.1 -45.02 79.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.99 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -43.43 85.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 tp -79.86 -37.15 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.127 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 12.2 p -69.49 -43.05 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.2 -37.67 86.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.652 0.263 . . . . 0.0 110.506 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -61.82 -47.22 86.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.423 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -57.73 11.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 41' ' ' VAL . 66.0 mt -56.02 -41.47 74.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.667 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.24 87.59 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -73.79 -31.2 63.17 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.784 -0.245 . . . . 0.0 110.476 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -62.3 -50.31 72.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.695 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.3 t -58.34 -49.04 83.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -70.27 -33.02 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.047 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' B' ' 47' ' ' ARG . 52.1 t60 -71.17 -31.04 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.14 -37.88 78.51 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.223 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.421 ' HB3' ' HD3' ' B' ' 54' ' ' ARG . 82.4 mt -59.58 -55.17 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.727 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.33 -6.43 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.762 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 43' ' ' HIS . 1.4 tmt_? -95.99 -61.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.445 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -104.91 -24.1 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 40.8 t -91.65 131.14 36.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.546 0.212 . . . . 0.0 111.03 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 49' ' ' VAL . 17.1 Cg_exo -68.11 139.68 47.29 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.77 2.314 . . . . 0.0 112.05 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.692 ' HA ' ' HB2' ' B' ' 54' ' ' ARG . 14.9 m -39.72 -39.05 0.71 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.23 -37.65 88.22 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.1 -0.375 . . . . 0.0 111.729 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 57' ' ' VAL . 7.0 t -96.53 -13.36 23.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HB2' ' HA ' ' B' ' 51' ' ' SER . 12.7 tpp85 -43.23 -64.19 0.68 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.13 0.972 . . . . 0.0 111.41 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.25 -30.17 62.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.941 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -37.46 82.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 53' ' ' SER . 75.1 t -68.7 -41.79 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.85 73.52 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.913 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -65.26 -46.16 81.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.215 179.286 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.26 -35.58 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' B' ' 65' ' ' LEU . 57.9 t80 -60.11 -45.84 91.62 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.47 0.653 . . . . 0.0 109.655 176.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -60.39 -37.53 81.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.118 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 67' ' ' GLN . 65.2 mttm -56.5 -48.72 76.58 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.08 78.38 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.461 HD11 ' CE2' ' B' ' 61' ' ' PHE . 0.6 OUTLIER -69.84 -43.85 71.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.068 -177.397 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.79 88.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.615 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 96.6 mt-30 -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.279 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -68.22 -40.98 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.055 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.44 -42.19 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.32 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -69.39 -33.63 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.2 m -83.83 -1.79 55.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.155 0.502 . . . . 0.0 110.812 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.0 -28.25 32.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.93 -48.59 7.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.144 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 69.55 163.43 0.24 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.963 0.887 . . . . 0.0 112.771 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -147.57 125.16 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.806 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 32.2 m170 57.12 -131.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -173.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 57.2 56.36 5.25 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.424 0.452 . . . . 0.0 110.77 172.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -54.95 136.22 47.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.509 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -94.24 -66.68 0.9 Allowed 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.574 176.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.68 0.276 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.03 -66.1 0.29 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.517 0.727 . . . . 0.0 112.552 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.68 138.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.996 0.426 . . . . 0.0 111.61 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -80.65 77.2 7.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.889 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -162.43 -86.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? 177.22 -38.54 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -165.96 171.47 12.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.105 -1.407 . . . . 0.0 107.669 166.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -143.76 170.66 15.46 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.055 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -61.15 -38.55 86.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.189 0.305 . . . . 0.0 111.087 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -60.92 -32.35 71.85 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -77.38 -34.29 54.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.169 0.509 . . . . 0.0 109.706 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 16' ' ' ILE . 59.2 t -69.66 -43.78 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.863 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.06 -50.48 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 p -63.71 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.282 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' B' ' 26' ' ' HIS . 3.6 mp -70.1 -48.96 55.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.709 175.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 12' ' ' VAL . 85.0 mt -54.8 -40.29 51.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.107 177.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.36 -52.02 64.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.008 176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -56.07 -45.6 79.25 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.885 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' B' ' 19' ' ' ILE . 39.1 mt -64.2 -45.3 96.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.851 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.58 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.612 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 49.5 t -58.69 -41.96 83.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' B' ' 22' ' ' VAL . 93.3 t -58.94 -48.71 85.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 120.866 0.365 . . . . 0.0 110.588 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD11 HD21 ' A' ' 37' ' ' LEU . 92.5 mt -58.54 -34.45 71.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.365 175.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -71.26 -45.64 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 29.9 mtpp -56.06 -45.24 79.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.426 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.83 -4.37 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 pttm 36.01 72.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.277 0.986 . . . . 0.0 112.08 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.96 75.72 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.732 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.99 163.46 25.41 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.566 2.177 . . . . 0.0 111.51 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.6 m -53.99 -46.28 71.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 35' ' ' MET . 6.0 m-20 -58.17 -54.53 45.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 110.368 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 tp -62.65 -33.33 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB3' HD13 ' B' ' 44' ' ' LEU . 44.9 m -61.15 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.606 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.346 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 90.4 mmm -62.61 -45.86 90.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.96 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.14 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -59.82 -36.86 77.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.524 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.13 78.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.499 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -73.99 -17.79 60.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.631 0.253 . . . . 0.0 111.127 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' B' ' 16' ' ' ILE . 92.8 m -66.43 -46.33 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.73 -45.7 90.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -40.11 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.101 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.42 -34.01 73.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.662 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 98.4 mt -64.96 -48.06 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 82.0 mt -55.3 -48.59 73.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.617 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.21 -62.33 1.96 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.334 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 14.4 mmt180 -105.21 6.54 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -167.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 14.5 mptt -117.86 -24.33 7.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 172.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.5 t -113.75 135.84 22.01 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.391 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.4 Cg_endo -55.02 151.3 34.63 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.873 2.382 . . . . 0.0 112.43 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -50.61 -54.14 25.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.5 -29.5 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 0.0 111.281 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -80.72 -24.58 38.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 93.9 mtt180 -54.87 -44.74 74.31 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.04 -47.72 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.35 80.93 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.512 -176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.85 -36.64 70.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.675 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -48.37 81.6 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.571 0.224 . . . . 0.0 110.46 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.58 -53.71 35.29 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.876 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.76 -51.52 58.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.435 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -60.97 -44.25 97.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.241 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.85 94.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.05 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.26 -24.4 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.528 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.03 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.937 0.399 . . . . 0.0 110.065 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.6 tp -62.33 -51.16 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.69 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.868 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.91 -48.8 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.157 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 m -63.86 -40.49 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.1 t -68.8 -31.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 4.7 ttmp? -72.4 -36.47 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.4 t -88.9 0.65 56.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.397 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.86 -28.14 64.36 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.216 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.71 -53.68 31.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.399 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 70.4 157.04 0.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.013 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.99 -138.04 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.71 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 77.15 -59.62 0.47 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.569 0.748 . . . . 0.0 111.776 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -94.15 102.31 14.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.124 0.488 . . . . 0.0 110.767 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -81.4 75.34 8.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.044 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -99.11 -8.73 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 167.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 114.317 -1.311 . . . . 0.0 108.154 174.15 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.464 0.173 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.456 ' O ' HG22 ' B' ' 3' ' ' ILE . . . 71.2 152.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.591 0.756 . . . . 0.0 111.821 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.456 HG22 ' O ' ' B' ' 2' ' ' ALA . 1.7 tt 71.36 -38.51 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.556 1.142 . . . . 0.0 112.091 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -91.04 77.94 6.0 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -169.87 86.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.794 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -77.22 -57.77 3.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -112.85 172.58 6.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.048 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.6 t -80.88 123.34 28.21 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -58.26 -33.18 69.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.885 0.374 . . . . 0.0 110.08 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -61.3 -48.03 83.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.089 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -60.84 -49.84 75.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.135 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.408 ' O ' HG13 ' B' ' 16' ' ' ILE . 46.4 t -61.71 -49.14 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.85 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.645 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.8 m -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.768 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 19' ' ' ILE . 40.6 tp -65.36 -45.52 83.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 110.281 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 40' ' ' CYS . 82.4 mt -56.32 -42.65 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.942 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.81 -41.3 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' B' ' 14' ' ' SER . 13.2 mm-40 -53.64 -48.48 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.43 0.633 . . . . 0.0 110.402 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -68.2 -44.08 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.891 -177.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.1 mt -61.12 -40.0 92.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.658 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.1 t -58.99 -41.37 83.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' A' ' 22' ' ' VAL . 70.2 t -54.94 -51.99 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.721 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.777 HD11 HD23 ' B' ' 37' ' ' LEU . 98.7 mt -61.55 -55.09 34.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.048 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.04 -23.13 61.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.06 -48.13 82.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 15' ' ' LEU . 9.1 p80 -96.19 4.62 52.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.417 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 78.7 tttt 67.09 44.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.404 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' NE2' ' B' ' 26' ' ' HIS . . . -53.08 114.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 171.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.09 159.74 33.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -51.58 -42.45 61.91 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.451 0.469 . . . . 0.0 112.207 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -36.31 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.205 0.526 . . . . 0.0 110.646 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 tp -84.07 -34.38 24.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.926 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 23.7 p -68.76 -47.15 66.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 0.0 110.608 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.7 -39.73 94.93 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.491 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.4 tpp -60.11 -52.14 66.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.99 -49.06 76.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.777 HD23 HD11 ' B' ' 23' ' ' LEU . 0.2 OUTLIER -62.29 -44.77 95.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -177.458 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -45.04 93.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.363 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -68.55 -32.71 72.83 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.954 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 75.0 m -67.2 -47.7 70.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.478 0.18 . . . . 0.0 110.936 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 37' ' ' LEU . 91.1 t -57.14 -45.03 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.561 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -69.45 -37.74 77.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.549 ' HA ' ' OE2' ' B' ' 46' ' ' GLU . 41.5 t60 -64.82 -32.51 74.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.196 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 33' ' ' SER . 94.5 mt -67.2 -38.38 85.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.101 0.477 . . . . 0.0 110.002 177.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.86 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 87.2 mt -64.89 -28.78 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.11 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 43' ' ' HIS . 45.2 mt-10 -65.16 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 111.946 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -89.26 -23.19 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -167.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -96.8 -23.29 16.46 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.789 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -120.43 130.03 25.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.887 0.375 . . . . 0.0 111.033 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.32 143.56 99.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 111.382 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 m -47.69 -38.65 15.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' B' ' 53' ' ' SER . 1.5 pm0 -66.75 -52.81 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 111.157 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.481 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 36.5 m -70.93 -26.65 63.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.113 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.86 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 39.9 ttm180 -53.66 -48.48 69.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -77.53 -29.58 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.86 79.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' SER . 92.4 t -63.88 -34.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.325 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.3 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.71 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 61.5 mm-40 -59.9 -47.6 85.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.83 -39.94 90.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.912 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.89 -44.69 96.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.448 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.55 79.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.003 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 70.3 mmtt -64.51 -49.82 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.072 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.53 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.467 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.38 -44.85 93.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.712 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.63 -42.32 98.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.67 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 7.3 p -65.55 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.38 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -75.78 -47.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 110.739 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' B' ' 74' ' ' GLU . 41.2 tttm -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.714 -171.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.5 p -66.82 -22.04 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.75 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.99 -11.98 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 110.065 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -100.91 -45.96 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 70' ' ' LYS . 73.8 mm-40 -53.97 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.725 0.641 . . . . 0.0 112.046 -176.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 67.09 -56.58 0.43 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 111.748 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 56.15 -52.85 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.986 1.715 . . . . 0.0 114.666 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -82.37 25.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 118.586 0.63 . . . . 0.0 110.996 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 14.89 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.962 178.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -106.21 82.67 1.78 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.154 -173.87 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.43 -175.29 0.2 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.178 0.591 . . . . 0.0 111.328 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.4 mt -83.36 109.77 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -101.83 19.88 17.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.2 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p 56.37 -170.38 0.09 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.911 0.884 . . . . 0.0 111.465 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.33 -26.6 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.171 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.0 107.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.2 m -104.72 166.32 10.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.83 -173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -56.91 -56.32 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.098 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 15' ' ' LEU . 33.5 tt0 -65.24 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.331 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 HD11 ' B' ' 32' ' ' LEU . 60.9 t -63.22 -38.82 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.287 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.086 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -68.67 -33.79 74.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.616 0.246 . . . . 0.0 110.873 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 19' ' ' ILE . 8.9 mp -63.03 -51.84 65.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' B' ' 36' ' ' ALA . 74.5 mt -57.43 -46.29 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.33 -36.94 83.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.347 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -67.23 -39.49 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.69 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -60.73 -42.48 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.612 0.72 . . . . 0.0 109.688 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.82 -35.57 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.793 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.5 t -64.94 -34.73 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.679 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.547 ' CG2' HG21 ' B' ' 22' ' ' VAL . 49.1 t -57.76 -54.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 0.0 109.853 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD11 HD21 ' A' ' 37' ' ' LEU . 92.2 mt -56.07 -51.93 66.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.861 175.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.11 -31.39 72.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.1 -29.17 70.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.87 -1.19 38.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.209 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 27' ' ' LYS . 35.0 tptt 55.85 42.93 28.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.178 -176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -65.85 122.74 82.36 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.225 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.2 Cg_exo -65.27 170.58 10.49 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.666 2.244 . . . . 0.0 111.518 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -54.04 -44.65 71.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.326 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.85 -47.11 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.549 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.83 -37.42 79.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.403 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 m -63.75 -54.25 38.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.804 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.15 -35.51 79.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.091 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.5 ttm -63.34 -53.96 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.36 79.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD21 HD11 ' A' ' 23' ' ' LEU . 3.9 mm? -61.64 -44.95 96.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.02 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -45.67 95.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.411 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.83 -36.14 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.0 t -62.78 -49.34 75.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 93.3 t -56.89 -42.33 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 110.623 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -65.78 -39.4 90.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.685 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.71 -24.11 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' B' ' 37' ' ' LEU . 95.4 mt -66.56 -32.8 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 0.0 109.921 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.44 -28.34 66.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.201 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.56 -5.76 51.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.292 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 25.8 ttt180 -87.04 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.197 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.807 ' HG2' ' HG2' ' A' ' 47' ' ' ARG . 32.7 mmmt -130.67 25.59 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -114.91 128.01 26.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.664 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.642 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -57.29 148.98 67.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.961 2.441 . . . . 0.0 112.037 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -53.58 -47.96 69.63 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' OE1' ' HB2' ' A' ' 50' ' ' PRO . 1.3 pm0 -72.04 -34.45 68.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.7 t -72.65 -28.49 62.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.257 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 99.3 mtt180 -53.35 -43.23 67.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.04 0.447 . . . . 0.0 110.562 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.46 -33.69 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -79.08 -33.91 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.647 0.261 . . . . 0.0 111.214 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' SER . 98.6 t -66.47 -37.93 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.958 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 17.3 tt0 -62.71 -53.73 49.99 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.931 174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 77.0 mm-40 -56.67 -42.46 79.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.15 -39.61 82.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.323 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.08 75.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.85 -43.84 94.94 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.54 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.87 92.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.81 -50.42 72.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.287 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.77 92.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.489 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -65.04 -38.67 91.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.349 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.469 . . . . 0.0 110.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.35 -48.38 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 53.4 tttm -66.5 -28.31 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.007 -176.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 74' ' ' GLU . 10.1 t -67.61 -7.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.331 -178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -31.0 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.4 mt -94.54 -21.29 18.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 71' ' ' SER . 10.3 mm-40 -89.97 39.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.386 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -67.54 -51.03 55.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.144 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -114.55 103.19 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.574 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 57.13 81.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.258 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.445 ' HB3' ' H ' ' A' ' 79' ' ' HIS . 3.4 m-70 -137.9 -153.37 0.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.246 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.445 ' H ' ' HB3' ' A' ' 78' ' ' HIS . 18.9 p-80 -138.29 143.88 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.895 179.071 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtm . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.658 0.266 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.63 -52.05 1.71 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.93 0.395 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -102.77 169.04 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -138.7 -55.08 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.742 0.306 . . . . 0.0 111.161 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -134.34 168.15 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.906 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -84.48 -25.48 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.116 0.484 . . . . 0.0 109.851 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -125.41 153.86 42.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t -108.94 151.44 26.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -62.17 -40.32 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.198 0.523 . . . . 0.0 109.642 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.0 m -62.95 -33.84 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.718 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.99 -49.06 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 16' ' ' ILE . 43.5 t -69.33 -46.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.51 -45.79 91.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.835 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -68.59 -29.79 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.886 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.629 ' O ' HG13 ' B' ' 19' ' ' ILE . 57.5 tp -63.03 -50.39 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 12' ' ' VAL . 65.8 mt -58.5 -43.32 86.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.211 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.45 -41.83 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.448 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.629 HG13 ' O ' ' B' ' 15' ' ' LEU . 27.7 mt -61.48 -40.16 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 109.839 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.417 HD23 HD12 ' B' ' 23' ' ' LEU . 96.0 mt -65.15 -34.73 79.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.705 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 17' ' ' ALA . 85.3 t -62.85 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.232 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.547 HG21 ' CG2' ' A' ' 22' ' ' VAL . 86.1 t -60.07 -45.57 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.969 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 94.3 mt -50.04 -42.67 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.674 172.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.09 -15.25 51.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' B' ' 21' ' ' VAL . 29.9 mmmt -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 0.0 110.12 175.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -98.65 -15.85 19.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.44 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.76 77.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.725 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.12 124.6 40.94 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.376 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.03 169.27 10.77 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.461 2.107 . . . . 0.0 111.338 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 48' ' ' LYS . 19.9 m -51.03 -45.14 61.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 35' ' ' MET . 10.5 m-20 -58.18 -53.7 55.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.572 HD11 HG22 ' A' ' 12' ' ' VAL . 32.3 tp -68.33 -32.57 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.509 -176.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -46.78 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.141 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 30' ' ' THR . 95.7 mt -61.93 -35.99 80.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.62 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' B' ' 31' ' ' ASP . 87.6 mtp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -69.54 -57.72 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 44' ' ' LEU . 4.5 mm? -52.2 -43.63 64.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.138 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.21 91.91 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.51 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.28 -33.57 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.505 0.193 . . . . 0.0 110.782 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 83.9 m -61.6 -52.71 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.414 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.41 -44.7 89.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 21.3 m -61.52 -46.57 89.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.908 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -69.08 -27.82 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 87.6 mt -65.34 -49.87 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.481 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 83.5 mt -63.17 -37.51 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.704 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.38 -45.71 86.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.459 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -88.35 -42.82 11.95 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.544 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -88.65 -19.05 26.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 39.2 t -119.39 134.85 23.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.714 0.292 . . . . 0.0 111.324 -173.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 51.9 Cg_exo -57.06 153.07 40.61 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.427 176.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 27.3 t -48.61 -56.87 7.25 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.07 -39.72 93.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.578 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.437 ' HB2' HG12 ' B' ' 49' ' ' VAL . 5.5 m -70.11 -29.32 66.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.066 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.6 mtt180 -53.72 -50.36 66.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 177.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.58 -35.62 79.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.308 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.96 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 0.0 110.645 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.94 -40.12 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.31 89.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.692 0.282 . . . . 0.0 110.921 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 9.1 mm-40 -55.6 -56.02 25.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.032 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.45 -42.76 99.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.286 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.15 -47.28 85.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.61 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 42.8 mttm -70.78 -40.87 72.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.264 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.22 86.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 69' ' ' VAL . 17.8 tp -58.79 -55.2 38.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.123 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.88 -44.18 97.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.054 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -62.8 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 65' ' ' LEU . 72.1 t -61.46 -47.1 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 0.0 110.579 177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.988 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.6 t -71.95 -11.88 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -86.79 -16.98 34.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.26 0.553 . . . . 0.0 110.001 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -100.89 -34.52 9.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.858 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.71 156.06 32.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.238 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -96.96 -25.91 15.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 17.4 t60 59.42 40.01 21.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.654 171.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -94.62 -1.25 53.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.841 0.829 . . . . 0.0 109.527 176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -117.3 134.81 54.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.097 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -74.94 -38.06 61.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.527 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.63 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.11 57.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.723 0.296 . . . . 0.0 110.339 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG13 ' H ' ' A' ' 4' ' ' GLN . 16.2 pt -88.64 -53.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.354 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.485 ' H ' HG13 ' A' ' 3' ' ' ILE . 11.3 pt20 175.82 139.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.472 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -102.76 4.76 38.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.215 0.531 . . . . 0.0 110.563 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -85.09 107.57 17.24 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.789 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -37.85 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.967 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.7 t 162.61 143.19 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -65.69 -45.48 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.255 0.55 . . . . 0.0 109.736 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 p -71.45 -30.49 66.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.365 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 5.8 tp-100 -58.67 -47.34 84.81 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG22 HD11 ' B' ' 32' ' ' LEU . 35.2 t -68.72 -45.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.26 -55.28 36.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.688 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.6 p -62.44 -33.99 75.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 110.777 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' B' ' 23' ' ' LEU . 57.8 tp -59.96 -56.4 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.206 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' ILE . 75.6 mt -62.12 -38.3 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.684 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -47.27 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.223 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.53 -37.49 87.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 110.883 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' B' ' 19' ' ' ILE . 50.4 mt -59.2 -46.24 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.106 0.479 . . . . 0.0 110.083 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.86 -42.66 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.601 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.484 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 56.5 t -63.11 -38.21 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' B' ' 22' ' ' VAL . 55.1 t -66.1 -45.2 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.538 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 37' ' ' LEU . 94.8 mt -49.05 -53.31 20.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.648 171.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 11.4 pt-20 -76.67 -22.27 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 59.7 tttm -72.94 -28.65 62.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.019 0.438 . . . . 0.0 110.024 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.63 -2.44 44.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 59.02 70.67 0.63 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.738 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -94.31 120.05 65.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.05 178.23 2.02 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.67 2.247 . . . . 0.0 111.32 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -63.16 -38.66 92.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.118 0.485 . . . . 0.0 110.233 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.88 -48.88 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.574 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' B' ' 12' ' ' VAL . 36.6 tp -75.71 -38.5 58.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.87 -172.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -64.5 -48.07 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.547 0.213 . . . . 0.0 110.987 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.75 -43.64 94.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.117 0.484 . . . . 0.0 110.442 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 ttm -66.44 -43.89 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.339 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.81 22.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.018 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 23' ' ' LEU . 4.6 mm? -55.9 -43.98 77.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.55 -46.5 81.13 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.948 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.76 -30.19 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.16 -24.05 61.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.948 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -72.87 -50.42 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 177.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 p -66.47 -31.44 72.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.231 0.539 . . . . 0.0 110.16 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -54.0 -32.11 53.11 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.26 174.432 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 32.0 mt -87.11 -38.72 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.018 0.437 . . . . 0.0 110.538 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 72.8 mt -60.4 -46.24 90.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.701 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 29.4 mt-10 -87.25 2.29 50.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.996 -177.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -94.24 -51.56 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.619 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -114.34 -28.66 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -89.56 127.85 53.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.663 0.268 . . . . 0.0 111.311 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.52 149.0 92.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.503 2.135 . . . . 0.0 111.404 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -53.6 -36.73 62.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.7 -52.09 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.776 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.3 m -77.65 -20.54 53.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.733 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 37.4 ttm180 -56.25 -38.88 71.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.33 -37.16 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.731 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.42 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 53' ' ' SER . 99.5 t -61.4 -39.61 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 178.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.26 93.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.917 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.08 -44.25 97.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.774 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.18 -31.84 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.696 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.93 -44.23 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.5 88.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.735 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -61.6 -40.7 95.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.483 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.53 94.64 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.387 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD22 ' OG1' ' B' ' 42' ' ' THR . 4.7 mt -65.14 -46.93 78.93 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.94 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.206 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -61.22 -44.19 97.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.551 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.661 ' HB3' HG21 ' B' ' 42' ' ' THR . 23.1 t -70.54 -47.71 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 55' ' ' GLN . 78.6 t -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.42 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.46 -40.0 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.725 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 m -68.56 -23.36 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.205 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -80.29 -32.08 38.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.597 HD11 ' HD2' ' B' ' 54' ' ' ARG . 9.8 mp -98.65 -46.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' A' ' 77' ' ' HIS . 58.1 mt-10 -82.14 51.15 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -90.93 -2.23 57.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -111.3 104.17 12.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.897 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' NE2' ' HB3' ' A' ' 74' ' ' GLU . 89.1 m-70 -138.05 -68.88 0.45 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 170.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.6 t60 66.67 -78.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.142 168.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -154.34 130.53 10.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.862 0.363 . . . . 0.0 110.452 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.809 176.223 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mmm . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.147 0.022 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.34 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.488 0.715 . . . . 0.0 111.662 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.52 113.97 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.475 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 70.44 -9.75 0.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.858 0.724 . . . . 0.0 111.674 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m 55.9 68.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.245 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.99 -46.81 88.24 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.01 108.33 4.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.945 169.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -75.55 163.74 27.05 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.176 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -62.92 -25.55 68.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -35.67 81.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.001 0.429 . . . . 0.0 110.311 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -70.97 -42.19 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.683 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 16' ' ' ILE . 40.0 t -60.67 -49.42 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.959 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.36 -39.11 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -57.88 -42.66 85.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.817 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.731 ' O ' HG12 ' B' ' 19' ' ' ILE . 9.4 mp -73.63 -41.12 63.19 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.3 mt -53.58 -46.29 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 110.427 177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -66.15 -35.38 80.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.256 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.83 -44.64 63.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.858 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' A' ' 19' ' ' ILE . 7.2 mm -63.99 -34.32 67.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -49.29 74.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.463 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.638 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 93.0 t -56.01 -47.7 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.497 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.5 t -51.17 -60.52 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 O-C-N 123.38 0.425 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 15' ' ' LEU . 92.2 mt -51.84 -50.81 60.15 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.234 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -86.74 -0.64 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -170.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 47.2 mtmt -69.57 -43.82 72.1 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 167.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.608 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 8.3 mtmp? 65.72 41.23 4.03 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.135 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 134.5 95.9 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.04 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.2 169.12 12.73 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.585 2.19 . . . . 0.0 111.457 177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -56.68 -38.61 72.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -54.71 43.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.345 0.593 . . . . 0.0 110.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.62 HD11 HG22 ' A' ' 12' ' ' VAL . 39.6 tp -68.32 -31.15 70.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.078 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.438 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.0 m -61.0 -49.46 77.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.537 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.05 -38.39 88.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.451 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -60.93 -47.59 85.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.713 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.41 76.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 HD11 ' B' ' 23' ' ' LEU . 4.2 mm? -58.74 -48.95 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.93 -49.57 70.31 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.754 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -71.19 -32.34 68.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.768 -0.254 . . . . 0.0 111.201 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.47 -51.62 54.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.692 0.282 . . . . 0.0 110.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 37' ' ' LEU . 87.8 t -59.75 -44.09 93.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.042 0.449 . . . . 0.0 111.02 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 68' ' ' SER . 6.2 m -73.66 -21.16 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.733 -176.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -74.31 -28.93 61.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.34 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.78 -34.04 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.621 . . . . 0.0 109.433 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.557 HD23 HG21 ' B' ' 49' ' ' VAL . 87.8 mt -63.3 -32.74 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.736 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.22 -61.27 2.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -87.36 -31.02 20.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 19.7 tptm -103.54 -39.96 6.52 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.819 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.557 HG21 HD23 ' B' ' 45' ' ' LEU . 91.2 t -85.09 134.52 40.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.94 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 81.5 Cg_exo -49.15 141.96 22.11 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.142 2.562 . . . . 0.0 112.642 176.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -49.92 -52.09 35.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.598 -174.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.61 -35.92 75.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 0.0 111.116 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -70.71 -21.72 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.965 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.597 ' HD2' HD11 ' A' ' 73' ' ' LEU . 96.4 mtt180 -48.43 -45.34 36.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.454 ' HG3' HD22 ' A' ' 73' ' ' LEU . 52.2 mt-30 -59.29 -52.87 63.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 111.459 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.91 -32.42 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.08 -46.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.007 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.01 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.025 0.441 . . . . 0.0 110.373 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.601 ' HG2' ' HZ2' ' B' ' 63' ' ' LYS . 33.4 tt0 -63.1 -40.51 97.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.34 -38.93 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 110.429 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.74 -43.46 97.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.961 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.19 82.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.601 ' HZ2' ' HG2' ' B' ' 59' ' ' GLU . 58.1 mttp -62.64 -47.81 82.09 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.25 90.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.082 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 41' ' ' VAL . 19.5 tp -63.72 -50.41 69.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.145 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.77 79.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.711 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.97 -41.2 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.816 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.7 m -64.91 -36.22 83.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.74 -43.97 76.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.51 0.672 . . . . 0.0 110.277 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' B' ' 70' ' ' LYS . 8.6 ttmm -73.4 -16.43 61.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.736 -176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.8 -12.96 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.743 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -73.91 -29.17 61.91 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.12 -49.5 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.166 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.58 128.81 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.816 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -102.82 -23.14 13.79 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.207 -177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -158.0 169.49 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -116.48 87.04 2.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.64 0.733 . . . . 0.0 109.96 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 m170 61.36 -97.26 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.128 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -146.86 92.61 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.588 0.232 . . . . 0.0 111.005 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.666 176.243 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -60.6 -30.81 70.06 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.42 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -63.51 -43.26 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.36 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -62.34 -51.41 67.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.156 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 8' ' ' SER . 28.0 t -59.67 -50.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.8 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.99 -39.12 91.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.781 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -69.38 -34.06 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.836 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.3 -45.07 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.4 mt -61.9 -44.42 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -75.16 -40.64 59.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.763 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 pt -71.09 -26.09 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.283 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 171.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.6 t -60.82 -38.52 79.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.091 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' B' ' 22' ' ' VAL . 97.4 t -61.21 -48.02 90.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 37' ' ' LEU . 98.8 mt -58.45 -49.37 77.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.396 176.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' LYS . 38.0 tt0 -71.01 -21.83 62.23 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.422 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -53.69 -35.34 61.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.339 0.59 . . . . 0.0 110.33 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 4.6 p80 -115.98 6.77 14.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.064 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 24' ' ' GLU . 14.3 ptmm? 35.42 49.63 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.489 1.118 . . . . 0.0 112.307 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.446 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.37 159.95 47.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 111.503 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.08 -46.6 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.726 -178.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -53.27 -50.68 64.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 44.5 tp -71.33 -34.65 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.862 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -65.86 -43.33 88.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.587 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.2 mt -60.72 -37.18 80.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.85 0.357 . . . . 0.0 110.223 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.54 -50.76 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.29 72.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -62.71 -43.62 98.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.3 -44.29 96.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -69.1 -30.43 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.776 -0.249 . . . . 0.0 110.789 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 50.2 t -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.648 0.261 . . . . 0.0 110.732 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.1 t -64.72 -52.12 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.937 175.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -63.33 -31.94 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.231 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.514 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -54.51 -42.35 70.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.031 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 25.6 mt -73.75 -32.89 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.675 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 97.2 mt -64.7 -51.9 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.323 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -71.04 -12.19 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.82 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -99.63 -59.9 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.352 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -95.1 -38.99 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -172.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 19.5 t -91.25 118.53 68.54 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.927 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -59.26 154.0 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 111.606 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 m -54.08 -40.57 67.33 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -37.77 77.82 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.585 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 m -80.57 -25.18 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.846 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.653 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 34.2 ttm180 -57.63 -35.58 70.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.131 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.1 -49.74 47.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.65 92.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.467 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 60' ' ' GLN . 88.0 t -63.45 -39.59 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.81 -42.15 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 4.0 pt20 -71.87 -33.57 68.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.536 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.32 71.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.16 -40.03 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.62 64.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.42 -47.73 84.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.75 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.856 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -79.27 -18.17 53.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.0 m -69.85 -41.05 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' B' ' 54' ' ' ARG . 61.8 t -69.49 -38.32 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.893 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.619 -179.274 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 34.3 t . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.94 -49.75 72.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -65.5 -32.55 74.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.514 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 7.1 tp-100 -61.54 -56.3 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.264 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 48.0 t -61.05 -43.85 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.03 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.915 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.3 m -64.95 -35.32 80.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 26' ' ' HIS . 6.7 mp -61.41 -55.41 31.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -56.51 -48.11 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.152 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.614 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.99 -44.82 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.726 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.31 94.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.362 . . . . 0.0 110.759 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 15' ' ' LEU . 8.5 mt -67.65 -36.25 75.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.212 0.53 . . . . 0.0 110.04 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 38.6 mt -65.52 -37.83 87.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.133 177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.9 t -62.67 -35.97 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.613 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 22' ' ' VAL . 61.0 t -61.19 -46.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.257 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.23 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.03 -52.17 45.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' B' ' 21' ' ' VAL . 89.1 mttt -53.15 -48.45 67.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.007 -177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.68 -16.91 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.984 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? 53.83 73.33 0.39 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.827 0.704 . . . . 0.0 109.934 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.75 131.05 53.18 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.127 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.96 159.37 46.61 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.453 2.102 . . . . 0.0 111.037 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m -54.78 -40.99 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.02 -45.51 92.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.01 0.434 . . . . 0.0 110.746 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 12' ' ' VAL . 36.8 tp -69.08 -42.47 76.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.98 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' HD23 ' B' ' 37' ' ' LEU . 13.2 p -63.86 -42.58 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.163 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.82 -38.88 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.1 ttm -63.77 -46.78 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.957 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 41' ' ' VAL . 3.3 mm? -60.01 -49.12 78.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.29 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -47.31 90.4 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.716 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.51 -32.73 72.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.833 -0.216 . . . . 0.0 111.042 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 41.9 t -65.38 -47.41 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.542 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 94.3 t -60.0 -42.81 90.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.472 . . . . 0.0 110.433 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -68.11 -38.07 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.057 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.14 -27.5 68.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 92.1 mt -68.46 -40.09 81.17 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.312 0.577 . . . . 0.0 109.654 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.573 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.5 mt -65.84 -40.31 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.522 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.65 -10.97 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.714 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -99.42 -67.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 8.3 mmpt? -109.81 4.62 21.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -168.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.71 105.52 32.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.174 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.66 149.32 59.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 111.25 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -54.41 -33.47 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.31 0.244 . . . . 0.0 111.547 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.78 -48.86 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.779 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.5 m -85.44 -29.02 24.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.484 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 30.3 ttm180 -56.31 -37.38 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.36 -176.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.58 -44.55 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.747 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.6 -36.86 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' SER . 90.5 t -64.16 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 0.0 110.389 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.91 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.417 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.6 tm-20 -69.02 -39.84 79.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -60.21 -42.27 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.277 0.561 . . . . 0.0 109.778 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.68 -45.08 88.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.211 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.0 90.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 62.9 mttp -57.91 -59.8 4.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.93 81.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.84 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -175.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.37 92.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.641 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.06 -30.18 70.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.523 0.202 . . . . 0.0 111.085 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -66.25 -41.0 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.168 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.53 -49.64 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.088 0.47 . . . . 0.0 110.543 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -25.38 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.621 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.054 179.246 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 47.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.25 -45.28 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.706 0.289 . . . . 0.0 110.494 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -62.81 -44.75 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.77 -58.28 8.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.2 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 8' ' ' SER . 61.6 t -61.05 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.74 -44.07 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -64.08 -37.92 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.734 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 19' ' ' ILE . 7.2 mp -63.37 -56.39 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.556 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.7 mt -51.59 -47.29 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 O-C-N 123.487 0.492 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.02 -50.18 74.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.218 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.41 -36.21 83.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.442 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.748 HG12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -59.47 -46.35 92.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.588 0.709 . . . . 0.0 109.43 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.95 -35.48 76.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.081 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.3 t -60.89 -37.74 77.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.328 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' B' ' 22' ' ' VAL . 79.5 t -61.61 -51.32 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.764 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -52.34 -51.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.642 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -72.57 -24.36 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 ttmm -64.84 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 109.902 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.9 -5.51 59.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.885 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm 58.82 44.15 17.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 124.65 91.04 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.197 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 162.66 13.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.469 2.112 . . . . 0.0 111.143 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.432 ' OG1' ' HE3' ' B' ' 48' ' ' LYS . 8.8 m -55.34 -39.68 70.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.132 0.492 . . . . 0.0 110.477 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 35' ' ' MET . 24.4 t70 -55.41 -49.52 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.678 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD11 HG22 ' B' ' 12' ' ' VAL . 59.2 tp -74.54 -40.99 61.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.741 -176.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 8.3 p -64.83 -39.4 93.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.881 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.583 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 65.1 mtt -59.8 -55.08 38.75 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.272 173.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.24 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.461 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.515 HD21 HD11 ' A' ' 23' ' ' LEU . 54.5 mt -66.74 -41.42 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.583 0.23 . . . . 0.0 110.741 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' CZ ' ' B' ' 61' ' ' PHE . . . -58.44 -48.41 84.2 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.21 -36.79 83.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 53.0 t -59.35 -55.91 28.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.54 -43.38 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 m -71.25 -29.37 65.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.933 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.04 -40.52 91.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.011 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 95.3 mt -61.33 -37.58 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 109.942 176.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 42' ' ' THR . 37.2 mt -60.46 -55.52 32.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.762 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 2.8 pp20? -77.34 -5.39 49.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.851 0.358 . . . . 0.0 111.838 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -90.47 -52.82 4.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.16 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 12.2 tmtt? -98.16 -38.29 9.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.329 -173.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -94.93 129.03 37.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 111.443 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.22 150.75 64.25 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.143 2.562 . . . . 0.0 111.904 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.3 m -47.9 -43.16 28.58 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -60.36 -59.15 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 110.885 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -75.08 -15.42 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.865 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.657 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 39.6 ttm180 -57.28 -40.15 77.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.133 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 27.1 mt-30 -71.91 -45.77 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -55.42 -50.46 69.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.446 -178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.83 -39.31 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . . . -58.93 -46.18 88.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 69.6 mt-10 -61.21 -50.48 72.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.225 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.3 mt-30 -55.39 -47.37 75.97 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.05 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.38 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.363 . . . . 0.0 111.177 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.15 -44.36 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.46 94.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.22 -54.94 41.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.103 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.219 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.95 -37.7 88.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 m -67.41 -35.8 80.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.6 -40.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.697 -179.211 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.9 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -58.49 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 109.907 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.9 m -74.95 -39.82 61.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.214 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.41 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 22.1 tp60 -60.26 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.298 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.489 ' O ' HG13 ' B' ' 16' ' ' ILE . 48.9 t -67.01 -46.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.654 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.82 -42.28 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.752 0.31 . . . . 0.0 110.98 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.1 t -65.16 -34.9 79.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.384 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.558 ' O ' HG13 ' B' ' 19' ' ' ILE . 39.1 tp -66.48 -42.26 87.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 12' ' ' VAL . 73.2 mt -58.54 -45.79 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.07 0.462 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.598 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -57.84 -40.12 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.067 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 14' ' ' SER . 12.6 mm-40 -55.45 -48.05 75.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.254 0.549 . . . . 0.0 110.643 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 15' ' ' LEU . 5.3 mt -66.5 -37.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.604 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.41 -32.78 74.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.3 t -60.63 -47.06 94.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 22' ' ' VAL . 61.4 t -59.11 -58.01 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.8 mt -46.16 -58.32 3.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.07 -17.42 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -76.69 -20.6 56.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.23 0.538 . . . . 0.0 110.023 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -100.59 -5.77 26.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.931 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm 61.34 38.25 16.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.974 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.69 118.16 54.81 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.684 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.52 163.96 11.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.62 2.213 . . . . 0.0 111.751 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.488 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 20.6 m -56.66 -44.34 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.204 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.133 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -69.24 -41.33 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 110.29 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -61.96 -42.1 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.037 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.5 mt -59.77 -45.2 92.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.8 ttp -68.37 -40.24 81.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.025 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.515 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.6 mm? -54.75 -41.69 70.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.53 -42.73 94.15 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.803 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 29.1 m-80 -74.25 -27.09 60.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 82.6 m -66.37 -48.16 71.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.78 0.324 . . . . 0.0 110.374 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.8 t -61.26 -46.67 96.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.647 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -39.67 84.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.739 0.304 . . . . 0.0 111.467 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 42.3 t60 -57.86 -36.38 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.1 mt -81.98 -44.26 16.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.66 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 10.3 tt -60.53 -35.77 76.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.719 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.18 -46.75 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -90.61 -22.49 21.2 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.432 ' HE3' ' OG1' ' A' ' 30' ' ' THR . 28.9 mtpp -105.38 -12.26 16.1 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.202 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.66 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t -119.11 130.76 24.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.21 142.73 27.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.175 2.584 . . . . 0.0 112.611 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.0 t -50.48 -44.31 55.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.879 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -63.35 -25.62 68.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -101.58 -3.9 27.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.514 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -61.74 -46.94 87.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.577 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -67.7 -31.12 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -51.06 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.252 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.77 -36.66 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.546 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.56 92.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -65.66 -43.29 89.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.958 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.21 94.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.712 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.424 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 47.5 t80 -61.71 -50.65 71.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.07 97.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.273 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.4 ' N ' ' HE3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -65.23 -34.67 78.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 178.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.58 89.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.44 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.5 mt -65.46 -47.34 76.47 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.24 90.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.056 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.475 HE21 ' HB3' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -62.91 -34.14 76.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -75.48 -23.22 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -95.32 -50.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.75 -21.07 61.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 120.971 0.415 . . . . 0.0 111.013 -179.646 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.78 -40.88 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -65.03 -36.92 85.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.525 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.27 -53.47 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.457 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 16' ' ' ILE . 47.6 t -59.14 -48.3 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.713 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.63 -36.33 82.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -56.77 -47.97 78.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.767 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 19' ' ' ILE . 10.4 mp -60.27 -51.01 71.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.341 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.1 mt -54.35 -46.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 O-C-N 123.5 0.5 . . . . 0.0 110.979 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.84 -42.29 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.278 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.27 -36.05 71.59 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.643 0.259 . . . . 0.0 111.012 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' B' ' 19' ' ' ILE . 10.1 mm -59.26 -41.21 83.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 23' ' ' LEU . 96.0 mt -67.25 -32.36 73.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.167 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.8 t -58.3 -44.71 88.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.663 0.268 . . . . 0.0 110.445 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.51 -50.09 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.531 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -53.23 -48.75 67.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.509 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -36.16 80.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.169 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 20.1 ttmm -72.36 -28.42 63.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.805 0.336 . . . . 0.0 110.682 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.44 -22.22 44.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? 61.54 47.59 6.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.66 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -76.18 130.08 78.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.801 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.8 Cg_exo -64.84 169.22 12.01 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.852 2.368 . . . . 0.0 111.212 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.446 HG23 ' HD3' ' B' ' 48' ' ' LYS . 63.6 m -52.3 -43.45 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.057 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.9 -59.82 4.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.923 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 HG22 ' B' ' 12' ' ' VAL . 35.4 tp -71.69 -31.95 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.164 -173.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' A' ' 37' ' ' LEU . 22.7 t -62.19 -47.41 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.21 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.48 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.5 ttm -66.71 -42.22 86.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.68 92.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.56 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -61.93 -50.93 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.38 -47.16 77.33 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.994 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.8 -41.42 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.713 0.292 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.4 -37.25 86.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.8 t -59.91 -48.03 89.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.598 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -34.54 67.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 0.0 111.609 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -66.62 -30.86 71.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.52 -39.05 74.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.298 174.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 96.1 mt -59.95 -48.86 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.17 -12.12 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.92 -65.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.09 -9.45 55.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.917 -170.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 48.5 t -112.45 133.24 21.85 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.984 -175.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.3 Cg_exo -55.41 150.14 43.45 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.089 2.526 . . . . 0.0 112.232 175.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -51.2 -56.99 9.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.09 -34.51 76.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.462 . . . . 0.0 110.971 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 m -71.32 -27.38 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 95.1 mtt180 -56.92 -33.23 66.74 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.688 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -71.02 -53.01 16.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.986 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -73.56 -37.85 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.974 -174.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.21 -41.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.56 85.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 0.0 110.26 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.71 -52.21 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.633 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 37.6 mm-40 -68.68 -29.91 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.437 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -64.46 -46.56 82.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.179 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.73 98.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.82 -42.21 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.919 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.36 85.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.21 -50.86 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.945 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.12 77.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.68 -38.42 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -63.76 -37.68 88.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.46 -38.92 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.352 0.596 . . . . 0.0 110.358 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.156 178.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 12' ' ' VAL . 39.2 m . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.692 0.282 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.1 -49.67 76.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.201 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.0 m -62.28 -39.11 91.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.424 ' HG3' HD21 ' A' ' 32' ' ' LEU . 6.2 tp-100 -62.46 -50.98 69.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 32' ' ' LEU . 58.7 t -59.62 -50.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.933 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.98 -32.31 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.888 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 59.5 m -66.06 -41.0 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.519 ' O ' HG13 ' B' ' 19' ' ' ILE . 4.8 mt -58.86 -58.1 10.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.921 172.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 80.1 mt -46.16 -49.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.532 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.73 -50.64 72.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.077 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.89 -31.98 63.37 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.572 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 19' ' ' ILE . 78.7 mt -65.4 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.058 0.456 . . . . 0.0 110.047 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.2 mt -66.6 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.5 t -61.01 -38.34 79.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.6 -52.01 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.58 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.768 HD11 HD21 ' B' ' 37' ' ' LEU . 95.8 mt -49.98 -54.43 20.06 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.782 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -79.63 -4.81 53.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.46 -35.96 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.75 -16.23 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.921 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 tttm 60.62 47.79 7.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 108.971 -173.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -65.14 133.65 95.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.317 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 32.2 Cg_exo -58.82 163.94 10.5 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.867 2.378 . . . . 0.0 111.448 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 m -54.88 -43.55 73.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -73.19 -31.99 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.32 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 28.0 tp -74.95 -33.58 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.257 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m -61.22 -47.2 87.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.197 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.75 -35.7 79.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttm -67.31 -45.77 75.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.908 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.68 64.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.624 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.768 HD21 HD11 ' B' ' 23' ' ' LEU . 4.5 mm? -58.54 -52.1 67.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.321 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.105 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.12 -34.28 78.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.57 0.224 . . . . 0.0 110.569 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.56 -45.78 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.526 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 37' ' ' LEU . 96.4 t -57.1 -46.81 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.122 177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -68.04 -35.01 77.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.801 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -64.16 -35.75 81.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.425 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.43 -42.34 44.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.097 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.66 -49.57 77.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.701 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.49 -33.12 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -45.53 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.108 -0.37 . . . . 0.0 111.461 -173.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 30' ' ' THR . 65.2 mttm -86.03 -33.37 21.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.817 -172.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 57' ' ' VAL . 42.0 t -96.13 130.59 30.78 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.987 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 52.0 Cg_exo -55.46 145.8 66.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.796 2.331 . . . . 0.0 111.731 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -50.98 -39.92 56.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.051 0.453 . . . . 0.0 111.359 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.56 -25.52 64.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.965 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -101.23 -3.64 28.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.64 0.257 . . . . 0.0 111.304 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.2 mtt180 -66.3 -32.94 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.019 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -65.53 -42.41 92.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.304 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -52.84 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.374 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 49' ' ' VAL . 33.5 m -68.29 -26.76 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.61 92.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -71.46 -37.73 71.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.74 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 97.1 mt-30 -70.3 -42.16 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.111 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.47 -47.22 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.08 85.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.304 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' B' ' 60' ' ' GLN . 16.9 tppt? -56.37 -56.48 20.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.413 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.057 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.1 -50.77 70.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.48 87.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -70.38 -22.3 62.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.741 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 64.3 m -74.12 -43.59 56.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 0.0 110.2 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 -43.36 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.4 . . . . 0.0 110.683 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -75.23 -16.07 60.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.267 179.46 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 12' ' ' VAL . 30.7 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.57 -34.58 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.325 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -61.52 -41.24 97.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.326 0.584 . . . . 0.0 109.92 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.7 tt0 -68.55 -48.96 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.634 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 8' ' ' SER . 47.8 t -57.11 -49.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.613 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.55 -40.78 92.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.7 t -58.2 -42.37 86.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.653 ' HG ' ' ND1' ' B' ' 26' ' ' HIS . 10.5 mp -65.0 -49.47 70.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.196 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.2 mt -59.6 -45.27 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.526 0.516 . . . . 0.0 110.715 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.88 -45.26 90.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.38 -27.81 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.047 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.4 mt -68.33 -38.46 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 173.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 17' ' ' ALA . 94.9 t -58.82 -40.16 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.571 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' B' ' 22' ' ' VAL . 62.1 t -61.82 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.635 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 37' ' ' LEU . 95.8 mt -53.29 -51.02 63.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.293 174.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -36.66 84.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.946 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.82 -26.69 68.87 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -104.98 3.26 30.47 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.163 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 57.18 36.68 27.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.673 0.608 . . . . 0.0 110.846 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -62.29 116.32 21.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.821 -175.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 37.7 Cg_endo -67.4 158.71 55.78 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.415 2.077 . . . . 0.0 111.08 176.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.1 m -48.12 -48.16 34.14 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.308 0.38 . . . . 0.0 111.909 -176.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.81 -50.16 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.347 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.7 -34.7 69.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -65.12 -42.04 94.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.7 mt -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.249 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 46.3 ttm -63.2 -47.38 82.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.337 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.96 -59.32 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.625 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.1 mm? -55.04 -51.09 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.945 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.09 -38.79 96.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.544 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' MET . 16.9 t-20 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.26 -43.56 97.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.441 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.6 t -57.62 -47.52 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.447 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -70.11 -32.8 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.403 0.62 . . . . 0.0 110.416 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -68.52 -37.14 79.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.247 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.67 -32.33 70.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.018 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 93.9 mt -60.42 -38.08 82.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.992 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.09 -44.82 68.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.874 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.751 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 2.5 mmp_? -100.13 -8.89 23.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -168.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -131.0 -8.18 3.9 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.206 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.6 t -123.97 135.39 26.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.06 142.65 99.58 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.338 2.026 . . . . 0.0 111.541 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -40.08 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -26.97 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -93.61 -21.52 19.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.803 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.7 mtt180 -51.13 -48.34 61.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' B' ' 70' ' ' LYS . 91.7 mt-30 -63.12 -36.82 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.38 -42.77 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.51 -37.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.124 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.88 95.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.455 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.27 -44.59 78.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 97.6 mt-30 -61.47 -39.95 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -63.97 -45.54 88.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.865 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -57.91 -43.94 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -57.86 -54.02 51.67 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.763 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.37 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.341 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.83 -57.09 10.95 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.98 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.753 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.54 -46.36 90.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.054 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.3 m -56.93 -37.6 71.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.2 t -75.13 -49.88 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.513 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -172.049 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 40.9 t . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -55.98 -39.01 71.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.697 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 14' ' ' SER . 20.1 m -61.02 -36.54 79.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -71.44 -47.62 54.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.161 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' SER . 93.3 t -53.46 -55.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.369 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' B' ' 16' ' ' ILE . 43.8 mt-10 -76.66 -18.64 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.727 -176.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 10' ' ' THR . 23.0 t -65.2 -45.53 84.41 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.759 ' O ' HG12 ' B' ' 19' ' ' ILE . 10.4 mp -59.98 -51.61 68.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.337 177.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 13' ' ' GLU . 76.4 mt -51.53 -48.73 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.573 0.546 . . . . 0.0 110.736 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.71 -47.3 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.077 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.3 mt-10 -63.36 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.759 HG12 ' O ' ' B' ' 15' ' ' LEU . 7.9 mm -60.51 -44.58 96.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.96 -37.92 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.086 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.2 t -57.26 -39.19 66.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' A' ' 22' ' ' VAL . 48.5 t -67.81 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.1 -30.92 71.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.743 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.66 -43.42 97.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 60.8 mttm -66.59 -19.93 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.653 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 33.3 m170 -88.49 -24.46 22.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.202 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 7.8 mtpm? 57.25 37.3 28.19 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.771 0.669 . . . . 0.0 110.199 -174.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.1 125.2 91.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.483 -176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.1 167.21 16.65 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.761 2.308 . . . . 0.0 111.976 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -53.18 -46.41 68.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -67.36 -37.88 83.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.669 0.271 . . . . 0.0 111.487 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.22 -40.14 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.5 p -66.48 -47.17 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.787 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.57 -37.27 83.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.934 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.8 ttm -67.15 -40.44 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HA ' ' ND2' ' B' ' 39' ' ' ASN . . . -71.43 -39.37 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.101 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 41' ' ' VAL . 49.9 mt -65.37 -39.65 92.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.07 -43.62 93.23 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.624 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.651 ' ND2' ' HA ' ' B' ' 36' ' ' ALA . 6.2 p30 -80.66 -24.89 38.63 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.033 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 39.1 t -70.36 -44.37 68.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.709 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.625 HG22 ' HB3' ' A' ' 37' ' ' LEU . 84.6 t -61.0 -44.85 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.314 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -67.88 -32.85 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.287 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 17.0 t60 -63.88 -28.56 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.533 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 66.1 mt -71.53 -42.68 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.204 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.89 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 97.1 mt -62.8 -45.46 92.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.852 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.46 -15.35 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.233 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -96.65 -52.74 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -120.93 7.65 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -170.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.53 123.8 26.36 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.562 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.23 140.53 93.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.617 2.212 . . . . 0.0 111.598 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -46.86 -42.14 16.87 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.1 -55.66 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.919 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 57' ' ' VAL . 12.9 m -71.57 -24.98 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.89 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.0 ttm180 -57.64 -44.76 85.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.604 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.21 -36.61 79.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.214 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.36 77.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 53' ' ' SER . 98.9 t -66.04 -45.76 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.194 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.5 81.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.92 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.439 ' OE1' ' HE3' ' B' ' 63' ' ' LYS . 5.8 tp10 -57.38 -56.04 27.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.1 0.476 . . . . 0.0 110.709 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.42 -44.21 88.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.343 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.78 -44.73 95.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.954 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.43 -44.3 95.91 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.136 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 59' ' ' GLU . 98.7 mttt -73.08 -37.82 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.3 99.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.517 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.36 -51.59 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.17 94.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.293 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 m -65.32 -44.87 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.54 -39.55 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.526 ' HA ' HE21 ' A' ' 55' ' ' GLN . 64.8 tttp -67.71 -52.21 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.365 -175.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -45.73 -47.1 15.38 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.597 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 m -50.28 -49.47 53.31 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.497 0.498 . . . . 0.0 111.748 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -70.8 -48.85 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.775 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.0 t -64.93 -49.99 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.467 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.81 -26.68 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.35 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 t -72.37 -35.21 68.43 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' O ' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -64.14 -54.35 35.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.798 176.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 12' ' ' VAL . 66.2 mt -54.68 -39.74 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.686 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.54 -49.46 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.203 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -72.07 -33.35 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.034 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 15' ' ' LEU . 58.4 mt -62.57 -38.6 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 109.817 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.12 -33.9 76.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.349 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.7 t -67.12 -32.82 59.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' B' ' 22' ' ' VAL . 56.5 t -67.87 -40.92 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.46 -53.14 61.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.88 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 27' ' ' LYS . 41.1 tt0 -65.33 -19.11 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.33 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.58 -36.19 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 110.071 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' HD22 ' B' ' 15' ' ' LEU . 7.0 p80 -120.19 18.6 12.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.134 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' GLU . 87.3 tttt 78.41 -53.21 0.49 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.574 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . . . 47.5 86.61 0.14 Allowed Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 123.982 0.802 . . . . 0.0 112.937 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.36 154.91 43.96 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.157 1.905 . . . . 0.0 111.101 174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.7 m -49.79 -43.13 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -52.96 -50.63 63.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 12' ' ' VAL . 52.9 tp -69.25 -42.98 74.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.739 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -63.48 -40.43 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.528 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 30' ' ' THR . 84.1 mt -62.38 -45.91 91.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.674 0.273 . . . . 0.0 110.679 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.28 -38.41 91.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.035 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.22 -52.95 22.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.356 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -59.56 -40.64 87.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.64 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.89 -39.48 88.5 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.43 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.05 -34.62 57.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.79 -0.241 . . . . 0.0 110.971 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.56 0.219 . . . . 0.0 111.088 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.1 t -61.29 -46.59 96.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 110.237 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -63.72 -39.96 95.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.278 0.561 . . . . 0.0 110.701 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.932 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.2 -39.29 75.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.83 0.347 . . . . 0.0 110.453 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 49' ' ' VAL . 96.1 mt -61.2 -41.55 97.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.59 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.31 -12.58 61.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.541 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.6 mmm180 -102.99 -67.28 0.89 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' ' OG1' ' B' ' 30' ' ' THR . 44.6 mtmt -106.61 16.53 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.06 -171.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD23 ' A' ' 45' ' ' LEU . 46.9 t -123.48 123.63 26.42 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -56.64 140.67 90.77 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.848 2.365 . . . . 0.0 111.593 177.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 m -55.43 -30.61 60.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.91 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.34 -26.42 61.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.946 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -104.55 -9.63 18.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.3 mtt180 -58.26 -43.11 87.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.883 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 mp0 -62.09 -43.74 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.605 -178.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.5 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.681 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.92 -42.67 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.498 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.32 94.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.451 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 56.4 mt-10 -62.67 -49.11 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -71.94 -30.81 65.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.142 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.71 -38.52 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 109.529 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.32 -37.35 68.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.064 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.314 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.29 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.866 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.4 mp -59.29 -47.78 84.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.25 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.303 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.69 -38.48 70.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' LEU . 61.3 t -63.7 -43.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.7 mttp . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.217 177.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -58.48 -39.39 79.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -61.78 -24.21 66.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.86 -48.26 69.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 16' ' ' ILE . 21.2 t -71.22 -45.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.17 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -55.53 -55.07 36.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.962 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -73.49 -21.7 60.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.192 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.544 ' O ' HG13 ' B' ' 19' ' ' ILE . 19.8 tp -68.23 -42.71 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.2 mt -54.27 -47.1 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -63.77 -37.01 85.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.347 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 7.8 tp10 -64.03 -46.55 83.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.252 0.548 . . . . 0.0 109.958 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 15' ' ' LEU . 17.5 mt -67.91 -33.54 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.335 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.2 mt -64.73 -39.09 93.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 17' ' ' ALA . 82.9 t -59.59 -39.66 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.33 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 22' ' ' VAL . 16.7 t -55.91 -56.49 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.445 177.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.09 -42.38 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.997 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.97 -46.52 90.38 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 29.2 mtpp -63.58 -16.23 60.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.908 -177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -108.71 -4.05 17.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.658 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 56.65 36.22 27.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.435 0.636 . . . . 0.0 110.148 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 123.03 76.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.837 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.0 158.04 31.45 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.898 2.398 . . . . 0.0 111.534 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 5.1 m -55.81 -47.47 77.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -59.34 -48.29 82.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.9 -43.52 98.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.0 m -62.97 -48.1 80.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.97 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.0 mt -61.7 -41.53 97.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.043 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.7 ttm -63.14 -44.09 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.198 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.0 93.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 33' ' ' SER . 60.5 mt -66.77 -40.95 88.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.58 90.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.025 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.58 -32.58 74.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.519 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.485 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.3 t -63.35 -53.69 48.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.516 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 37' ' ' LEU . 65.6 t -57.67 -44.37 85.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -61.38 -40.63 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.578 . . . . 0.0 110.562 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -74.29 -27.55 60.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.082 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 95.4 mt -67.45 -36.49 81.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.019 0.437 . . . . 0.0 109.915 175.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.694 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.466 ' HA ' ' NH2' ' B' ' 54' ' ' ARG . 42.2 mt-10 -67.09 -22.15 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.832 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' B' ' 47' ' ' ARG . 0.6 OUTLIER -85.48 -34.27 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -170.629 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -130.51 -30.61 1.87 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.949 -0.701 . . . . 0.0 112.477 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.6 123.37 65.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.524 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.605 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.49 148.47 80.76 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.704 2.269 . . . . 0.0 111.391 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -56.7 -38.34 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.887 0.375 . . . . 0.0 111.318 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.43 -43.06 99.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.879 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.458 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -76.95 -31.19 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.3 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.9 mtt180 -51.7 -37.51 51.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -57.33 -52.45 65.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.193 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.93 -31.18 59.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.207 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 53' ' ' SER . 96.1 t -64.3 -46.59 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.784 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.84 -48.15 80.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.63 -35.08 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.24 -49.61 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.136 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.82 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.628 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -61.31 -45.69 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.546 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.99 78.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.856 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -61.28 -48.42 81.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.79 78.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.538 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.3 -38.84 92.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.235 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -63.42 -47.4 82.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.37 -42.47 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.52 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.37 -36.78 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.823 179.528 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.237 0.395 0 CA-C-O 120.723 0.297 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.97 -54.86 33.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.642 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -57.73 -36.74 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.4 tt0 -63.27 -53.29 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.8 t -64.03 -43.35 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.082 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.62 -52.09 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.674 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 p -66.73 -30.8 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.367 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -68.54 -47.84 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.738 176.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.4 mt -58.27 -44.48 88.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.341 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.99 -44.25 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.262 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tp10 -60.71 -44.42 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 15' ' ' LEU . 17.5 mt -65.62 -36.53 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.31 -38.39 90.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.274 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' ALA . 95.3 t -64.04 -31.69 54.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.439 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' B' ' 22' ' ' VAL . 84.1 t -59.95 -55.65 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.63 0.252 . . . . 0.0 110.612 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.75 -51.66 66.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -44.17 84.73 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.092 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.71 -24.59 67.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.704 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -94.98 -2.44 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 tttp 63.47 31.07 15.17 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.66 . . . . 0.0 110.152 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.21 130.79 64.58 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.166 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.92 157.21 62.66 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.47 2.113 . . . . 0.0 111.457 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -54.23 -38.2 65.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.635 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.4 -44.4 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.707 HD11 HG22 ' B' ' 12' ' ' VAL . 40.1 tp -73.11 -31.16 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.228 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -63.33 -47.22 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.422 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.87 -39.79 90.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.381 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -62.58 -46.16 89.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.1 77.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.278 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.64 76.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -70.2 -35.24 73.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.406 0.146 . . . . 0.0 110.808 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 t -60.87 -52.31 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.6 t -59.38 -44.62 92.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.67 -32.53 71.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.744 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -69.62 -27.45 65.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.904 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.42 -36.57 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 90.2 mt -64.79 -31.91 73.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.651 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 7.3 pt-20 -87.04 -14.32 41.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 21.6 mmt180 -107.43 -62.51 1.41 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -84.9 -13.91 49.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.0 t -110.65 129.22 24.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.629 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.48 151.39 85.06 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.32 2.014 . . . . 0.0 111.299 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 m -53.47 -30.69 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.693 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -53.08 57.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.152 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -94.82 -11.74 28.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.699 0.285 . . . . 0.0 111.131 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 41.1 ttm180 -54.57 -42.2 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.485 -177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -78.14 -41.01 36.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.247 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.28 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.699 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.7 -38.83 77.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.476 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.43 73.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.221 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 26.5 mt-10 -67.84 -45.23 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.674 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.74 -39.46 91.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.91 -42.24 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.57 -47.12 87.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.312 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 54.5 mttm -62.25 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.65 97.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.93 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.66 -51.97 67.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.35 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.21 95.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.493 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.85 -30.57 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -67.11 -36.55 82.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.921 0.391 . . . . 0.0 110.24 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG12 ' NE2' ' B' ' 55' ' ' GLN . 15.8 t -75.06 -39.99 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.088 0.47 . . . . 0.0 110.327 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.642 -173.403 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -53.84 -45.75 71.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.643 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.3 m -59.79 -42.3 93.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.007 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -61.99 -48.94 78.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.808 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.707 HG22 HD11 ' A' ' 32' ' ' LEU . 45.7 t -64.47 -46.17 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.55 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.005 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 m -71.93 -35.57 69.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.661 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.623 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.5 tp -60.28 -53.33 58.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.148 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.42 -39.72 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.424 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.523 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.57 -46.9 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.473 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.6 tt0 -65.23 -39.5 92.83 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.532 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 15' ' ' LEU . 20.5 mt -60.03 -41.58 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.74 -43.09 94.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.108 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 78.0 t -59.12 -41.32 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' A' ' 22' ' ' VAL . 78.5 t -56.64 -51.77 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 111.211 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' B' ' 33' ' ' SER . 94.3 mt -57.7 -38.82 75.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.814 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.75 -28.33 63.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.141 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 91.8 mttt -54.16 -45.86 72.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.153 0.501 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -97.93 -4.34 36.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.809 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 51.51 43.32 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.704 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.6 136.18 92.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.515 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.75 161.34 15.34 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.416 2.077 . . . . 0.0 111.396 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -56.73 -35.73 68.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.53 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -61.31 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.967 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.74 -38.02 79.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.19 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 59.5 m -64.4 -45.58 87.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.006 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.32 -38.53 87.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.413 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttm -61.61 -42.6 99.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.86 70.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 41' ' ' VAL . 72.5 mt -61.96 -39.0 90.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.2 -52.64 50.25 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -67.3 -28.32 67.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.561 0.219 . . . . 0.0 110.488 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 51.8 t -64.4 -55.69 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.51 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.6 t -57.33 -44.82 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.426 HG23 HG22 ' A' ' 69' ' ' VAL . 4.1 m -66.65 -35.93 81.35 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.791 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -68.94 -32.2 71.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.3 mt -66.31 -44.16 84.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.006 0.431 . . . . 0.0 109.921 176.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.36 -44.09 95.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.564 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.483 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 6.3 mt-10 -74.93 0.39 15.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -107.48 -58.07 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.623 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.408 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -86.66 -44.28 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.184 0.516 . . . . 0.0 110.567 -173.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.75 133.99 51.23 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.695 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 50.3 Cg_exo -56.85 148.26 67.95 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.898 2.399 . . . . 0.0 112.364 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -45.14 -50.17 11.45 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -29.3 39.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 111.04 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -71.04 -31.42 67.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.431 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.6 mtt180 -53.56 -42.12 67.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.214 0.531 . . . . 0.0 110.762 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.617 ' NE2' HG12 ' A' ' 69' ' ' VAL . 42.7 mm-40 -63.51 -44.32 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.516 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.26 90.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.808 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 53' ' ' SER . 67.2 t -63.01 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.49 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.923 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.77 -50.27 74.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 109.785 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -66.86 -37.68 84.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.98 -47.95 78.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.475 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.11 -40.46 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.381 0.61 . . . . 0.0 110.371 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . 27.4 ttmt -62.0 -51.75 66.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.598 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.2 tp -59.37 -58.05 10.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.281 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.58 78.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.249 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -40.17 96.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -67.15 -33.99 76.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.581 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 54' ' ' ARG . 96.9 t -65.59 -50.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -21.99 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.177 -177.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 176.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -62.73 -35.44 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.035 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 t -81.16 -23.95 37.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.294 -177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.94 -61.57 2.48 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.66 -38.91 67.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.866 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 10' ' ' THR . 31.5 tt0 -52.45 -56.38 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.386 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.2 p -59.63 -36.57 76.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.641 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 19' ' ' ILE . 6.4 mp -69.65 -52.15 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.907 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.2 mt -56.96 -45.96 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.868 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -45.54 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.293 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' B' ' 22' ' ' VAL . 35.7 tt0 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.782 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 15' ' ' LEU . 3.3 pt -70.75 -36.56 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 111.387 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.93 -43.45 95.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.411 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.6 t -61.33 -38.41 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.44 -48.5 82.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.187 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD11 HD21 ' A' ' 37' ' ' LEU . 66.6 mt -59.23 -44.17 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.682 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.61 -32.38 60.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.849 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 21' ' ' VAL . 50.7 mtmt -67.74 -38.46 83.54 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 122.208 -0.308 . . . . 0.0 111.032 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -79.4 -14.76 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 tttp 52.33 62.89 2.47 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.806 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 123.62 89.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.405 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.89 168.52 3.31 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.885 2.39 . . . . 0.0 112.281 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -52.85 -51.51 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.853 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.73 -41.74 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.762 0.315 . . . . 0.0 111.008 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.52 -44.88 95.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 13.6 p -66.14 -46.8 76.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.905 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.14 -46.24 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.598 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttp -63.26 -44.58 94.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.28 73.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.652 0.263 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.6 mm? -62.17 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.802 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.21 58.63 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.397 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -60.58 -38.91 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.503 0.192 . . . . 0.0 110.511 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.2 t -62.18 -50.57 71.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.004 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 37' ' ' LEU . 85.7 t -60.86 -44.02 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -68.56 -30.48 69.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.265 0.555 . . . . 0.0 110.066 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -71.16 -28.73 64.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.56 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.0 mt -64.76 -39.13 93.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.251 0.548 . . . . 0.0 110.102 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 73.3 mt -63.04 -32.59 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.261 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.17 -20.12 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.311 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -94.46 -47.62 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -116.13 -17.15 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.95 129.31 25.05 Favored Pre-proline 0 C--N 1.319 -0.732 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.817 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.4 Cg_exo -62.73 147.53 94.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.563 2.175 . . . . 0.0 111.064 171.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.497 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m -58.97 -33.02 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -172.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.53 -35.33 77.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.252 0.549 . . . . 0.0 110.855 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -93.4 -17.96 22.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.331 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 51' ' ' SER . 94.2 mtt180 -55.11 -41.36 71.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -49.06 47.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.65 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.488 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.36 -47.88 90.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.554 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.87 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.48 -48.13 73.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.106 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.29 -35.08 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' B' ' 38' ' ' GLY . 39.7 t80 -56.95 -49.62 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -59.05 -43.26 91.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.159 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 19.1 ttmt -68.08 -29.47 68.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.104 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.72 95.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.668 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.5 mt -63.69 -40.71 97.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.0 91.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.869 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 60.0 mm-40 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.2 m -65.2 -42.87 93.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.323 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 65' ' ' LEU . 48.2 t -61.21 -45.72 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.132 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 178.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.04 -39.46 82.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 0.0 110.203 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -59.41 -42.9 92.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -62.54 -52.86 61.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.15 -44.4 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.27 -50.39 74.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.9 p -67.31 -37.51 83.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.841 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 19' ' ' ILE . 49.2 tp -60.36 -51.86 67.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.469 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 90.3 mt -58.2 -43.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.298 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.46 -38.79 85.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.252 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.62 -46.94 85.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.706 0.288 . . . . 0.0 110.928 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 15' ' ' LEU . 10.7 mt -61.12 -39.41 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.231 0.539 . . . . 0.0 109.884 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.4 mt -65.28 -41.86 93.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.0 t -57.54 -40.65 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.433 HG13 ' OE2' ' A' ' 18' ' ' GLU . 88.8 t -61.01 -44.57 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.566 HD11 HD21 ' B' ' 37' ' ' LEU . 73.9 mt -71.83 -36.72 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.51 -40.44 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.732 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.79 -31.9 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.555 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.449 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 57.5 m170 -84.06 -27.05 28.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.215 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.34 37.32 28.02 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.26 0.552 . . . . 0.0 110.065 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.53 135.22 90.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.443 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.76 174.67 10.75 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.616 2.211 . . . . 0.0 111.223 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -56.2 -39.82 73.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.195 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.87 -55.28 34.42 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.338 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.448 ' HG ' HD22 ' A' ' 15' ' ' LEU . 32.9 tp -77.37 -33.22 55.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.568 -170.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' B' ' 37' ' ' LEU . 12.0 p -66.14 -57.01 8.61 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.06 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.64 -37.78 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -61.02 -52.52 64.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.75 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.88 69.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.566 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -59.24 -45.34 91.43 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 61' ' ' PHE . . . -57.93 -44.99 94.22 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.146 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -38.72 90.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.72 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.523 ' SG ' HG23 ' A' ' 16' ' ' ILE . 75.0 m -61.84 -48.02 82.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.472 0.177 . . . . 0.0 111.472 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 37' ' ' LEU . 62.1 t -58.93 -46.95 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.676 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 45' ' ' LEU . 1.3 m -73.41 -24.07 60.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 24.3 t60 -73.09 -36.7 66.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.722 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.77 -22.84 62.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.712 0.292 . . . . 0.0 110.633 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 42' ' ' THR . 89.8 mt -61.96 -38.66 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.998 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 25.4 mt-10 -65.49 -30.0 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 0.0 110.516 178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 43' ' ' HIS . 3.8 mmt180 -87.64 -53.36 4.82 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.071 -168.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -100.63 -8.41 22.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 29.9 t -121.85 132.87 24.15 Favored Pre-proline 0 C--N 1.321 -0.659 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.613 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.529 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 25.2 Cg_exo -62.73 147.59 94.51 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.748 2.298 . . . . 0.0 111.02 173.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -51.57 -42.69 62.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.21 -25.14 68.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 111.591 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m -102.06 -12.58 18.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.641 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.6 mtt180 -58.51 -48.05 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.9 -36.11 79.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.314 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.22 75.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.842 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -38.98 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.4 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.873 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.82 -42.42 97.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.86 -40.71 83.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.914 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.89 -39.05 87.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -66.44 -42.38 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -61.12 -47.47 86.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.08 90.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.72 -60.42 3.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.527 0.68 . . . . 0.0 110.472 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 50.7 tt0 -79.92 -22.49 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.642 0.258 . . . . 0.0 110.564 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -64.76 -40.82 95.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.63 -41.19 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.297 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.629 ' HB2' ' HA ' ' B' ' 67' ' ' GLN . 58.1 mttp -60.17 -23.93 64.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.191 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 -179.201 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.238 0.452 0 CA-C-O 121.025 0.44 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -52.43 -44.37 65.42 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.79 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.2 m -56.84 -45.92 82.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -63.89 -44.8 91.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.85 -42.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.39 -43.26 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -58.69 -46.29 87.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.261 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' B' ' 36' ' ' ALA . 29.5 tp -61.23 -48.28 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.735 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.41 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.17 -40.09 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.0 mt-10 -68.7 -44.8 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.326 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -65.86 -31.4 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.61 0.243 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.54 -42.9 73.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 110.46 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.0 t -59.71 -38.72 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.366 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' B' ' 18' ' ' GLU . 78.1 t -58.71 -48.61 85.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.495 175.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -54.9 -49.29 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -34.27 77.39 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' HG12 ' A' ' 21' ' ' VAL . 96.3 mttt -63.03 -36.25 82.93 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.242 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -88.52 -15.87 34.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.142 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 50.17 80.49 0.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.619 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.21 135.93 19.26 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.173 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.9 166.49 20.34 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.66 2.24 . . . . 0.0 111.551 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -55.78 -46.77 77.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.096 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.4 -43.89 75.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.972 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' B' ' 12' ' ' VAL . 36.4 tp -73.72 -43.03 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.975 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 18.4 p -62.48 -46.68 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.424 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.52 -36.55 84.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 tpp -62.02 -49.93 74.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.4 88.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -61.19 -45.92 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.421 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.97 94.8 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.709 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -70.4 -28.65 65.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.684 0.278 . . . . 0.0 110.746 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.22 -45.83 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.694 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' B' ' 37' ' ' LEU . 54.5 t -63.01 -42.42 96.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.089 0.471 . . . . 0.0 110.143 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.3 m -64.09 -39.3 93.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.563 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.13 -34.93 70.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.26 -45.17 61.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.815 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 69.6 mt -58.94 -53.38 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.19 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 3.3 tp10 -69.43 -20.64 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.903 -172.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -107.48 -52.25 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -93.55 -7.88 42.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.858 0.361 . . . . 0.0 111.402 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t -111.46 133.32 21.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.65 0.262 . . . . 0.0 110.835 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 77.3 Cg_exo -50.62 145.44 22.76 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.127 2.551 . . . . 0.0 112.671 177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 m -52.66 -45.07 66.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.907 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -70.6 -24.53 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -175.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 m -94.15 -15.77 24.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.789 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 91.6 mtt180 -55.8 -39.08 70.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.47 0.176 . . . . 0.0 111.243 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 55' ' ' GLN . 22.2 mt-30 -71.97 -51.66 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.77 98.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.96 -175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.82 -38.43 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.2 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.35 -46.16 89.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.684 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.36 -38.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.666 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.19 -43.44 95.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.052 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.41 89.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.496 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.96 -51.39 64.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.975 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.228 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.03 -51.54 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.098 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -61.02 -45.38 95.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -57.73 -42.87 84.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.332 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -62.14 -41.61 98.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' B' ' 54' ' ' ARG . 92.3 t -73.09 -40.62 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.375 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.708 ' HE2' ' HB1' ' A' ' 66' ' ' ALA . 61.3 mttm . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.485 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 35.8 t . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.74 -32.56 71.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.21 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -74.8 -36.02 62.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.663 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 58.2 tp60 -59.03 -51.85 68.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 32' ' ' LEU . 46.4 t -61.03 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.34 -42.63 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.434 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.4 m -63.9 -36.05 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.02 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.553 ' O ' HG13 ' B' ' 19' ' ' ILE . 6.4 mp -62.06 -41.32 98.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.675 0.274 . . . . 0.0 110.727 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 12' ' ' VAL . 67.4 mt -59.14 -45.96 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.075 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.4 -35.02 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.154 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 14' ' ' SER . 9.1 mm-40 -59.75 -48.38 81.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.325 0.583 . . . . 0.0 110.61 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 15' ' ' LEU . 2.1 mt -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.018 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.41 -41.08 96.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 17' ' ' ALA . 71.5 t -55.87 -46.14 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.23 -42.25 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.551 HD11 HD21 ' B' ' 37' ' ' LEU . 97.5 mt -62.37 -41.36 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.26 -23.69 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.584 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HE2' HG12 ' B' ' 21' ' ' VAL . 68.7 mttm -61.68 -40.75 96.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.664 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -99.25 3.44 46.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.183 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 tptt 57.86 37.09 26.88 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.587 0.555 . . . . 0.0 110.591 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -58.05 116.55 14.97 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.288 -173.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 17.6 Cg_exo -67.56 176.81 4.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.243 2.629 . . . . 0.0 111.806 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 m -48.16 -56.03 8.89 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -60.1 -47.6 85.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.534 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.54 -34.01 76.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.703 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.441 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.0 m -63.37 -53.65 49.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.964 0.412 . . . . 0.0 109.966 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.33 -36.85 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.119 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.9 ttm -62.5 -55.9 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -59.55 -46.17 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.36 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.4 mm? -63.17 -45.22 92.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.37 94.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.295 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -63.05 -38.99 93.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.676 0.274 . . . . 0.0 110.27 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 45.7 t -60.13 -53.92 52.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 97.7 t -54.85 -47.61 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -62.42 -40.07 95.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.39 -29.67 62.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 74.0 mt -63.54 -48.73 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.3 mt -58.42 -31.83 68.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.478 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.66 -45.3 37.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.719 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -26.44 26.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -112.02 -40.82 4.12 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.559 -0.457 . . . . 0.0 112.133 -173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.455 HG21 HD23 ' B' ' 45' ' ' LEU . 41.7 t -93.5 135.85 24.85 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.352 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.6 149.22 83.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.79 2.327 . . . . 0.0 111.785 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -54.06 -36.52 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.18 -43.67 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -88.99 -14.52 36.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.442 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.1 ttm180 -55.91 -47.26 77.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.385 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 27.3 tt0 -73.34 -42.16 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.742 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.21 77.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.6 t -70.33 -34.58 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.12 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.124 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 38.2 mm-40 -59.51 -46.06 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.197 0.522 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.95 -43.02 97.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.52 -44.3 97.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.464 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.32 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.718 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -69.45 -38.98 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.95 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.192 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.61 -45.78 92.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.98 90.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.53 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -67.24 -39.33 86.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.263 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -64.06 -29.86 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.63 -49.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.604 . . . . 0.0 110.668 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' B' ' 70' ' ' LYS . 35.8 ttpt -60.78 -36.43 78.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.972 -174.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 111.059 -177.503 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -55.97 -35.95 67.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 110.093 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -62.54 -45.52 92.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.173 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.42 -47.05 83.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.329 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.527 HG22 HD11 ' B' ' 32' ' ' LEU . 62.1 t -66.45 -50.16 69.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.805 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.39 -41.67 94.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.618 0.247 . . . . 0.0 111.016 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 23.3 t -63.8 -39.56 94.55 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 19' ' ' ILE . 33.0 tp -65.23 -43.07 92.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.549 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.7 mt -58.38 -43.8 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.145 0.498 . . . . 0.0 109.819 175.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.803 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' SER . 21.2 mm-40 -54.94 -48.4 73.21 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.316 0.385 . . . . 0.0 110.473 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' B' ' 19' ' ' ILE . 4.9 mm -62.4 -42.6 96.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.019 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.45 -35.85 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.985 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.8 t -61.84 -40.59 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.614 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.82 -50.48 79.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.072 0.463 . . . . 0.0 110.228 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 76.8 mt -56.46 -49.3 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.356 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.75 -36.51 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.285 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HE2' HG12 ' A' ' 21' ' ' VAL . 64.7 mttm -60.11 -33.95 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.712 0.291 . . . . 0.0 111.428 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.44 -11.14 52.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt 58.53 29.25 18.14 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.637 0.586 . . . . 0.0 110.07 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -66.59 133.0 94.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.916 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 24.9 Cg_exo -63.57 160.53 35.64 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.675 2.25 . . . . 0.0 110.879 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG22 ' B' ' 49' ' ' VAL . 2.1 m -57.72 -35.4 70.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.637 0.256 . . . . 0.0 111.353 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.2 -53.5 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -72.71 -31.22 64.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -62.25 -52.02 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.409 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.94 -36.99 83.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.451 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.2 ttm -60.74 -48.63 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -47.02 74.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 23' ' ' LEU . 4.1 mm? -60.56 -46.33 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.35 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.61 89.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.399 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.018 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.91 -47.87 84.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 111.355 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' B' ' 37' ' ' LEU . 60.5 t -57.9 -48.24 84.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -73.96 -29.31 61.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.988 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -69.17 -40.74 77.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.264 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD11 HD13 ' B' ' 23' ' ' LEU . 95.9 mt -68.72 -41.03 79.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 176.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -60.98 -42.68 98.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.663 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.2 -45.19 81.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.237 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -87.24 -5.71 58.84 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.915 -170.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 18.8 tptm -118.37 -34.74 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.874 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.77 127.07 28.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.727 0.299 . . . . 0.0 110.943 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.87 151.8 74.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -49.29 -38.83 28.66 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.62 0.575 . . . . 0.0 112.335 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -56.72 -54.96 40.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.928 0.395 . . . . 0.0 111.585 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 m -89.29 -3.88 58.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.953 0.406 . . . . 0.0 111.068 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG3' HD22 ' A' ' 45' ' ' LEU . 39.2 ttm180 -64.8 -42.25 95.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -68.6 -32.95 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.749 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.72 71.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' HB ' HD21 ' A' ' 45' ' ' LEU . 67.9 t -62.95 -39.37 84.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.471 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.53 90.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.623 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.7 mm-40 -58.43 -48.24 81.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.063 176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.02 -43.57 98.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.57 -46.1 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.382 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.98 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.247 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 62.8 mttp -61.88 -48.03 82.31 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.713 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.97 81.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.424 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.91 -54.62 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -63.26 -43.38 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.094 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -55.57 -40.15 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -64.51 -52.22 58.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' B' ' 55' ' ' GLN . 46.9 t -61.59 -33.44 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.899 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 28.0 mtpp . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.29 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.615 0.245 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -58.6 -27.29 64.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.2 m -56.45 -45.4 80.85 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.47 -36.26 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.528 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.81 -47.95 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.404 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.34 -49.51 75.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.385 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -59.59 -46.74 88.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.578 ' O ' HG13 ' B' ' 19' ' ' ILE . 0.5 OUTLIER -56.62 -51.9 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.16 -178.277 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.39 -48.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.55 -44.75 93.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.482 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.14 -39.86 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.29 . . . . 0.0 111.04 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 19' ' ' ILE . 50.7 mt -65.04 -42.98 96.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.06 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' B' ' 17' ' ' ALA . 61.6 t -60.49 -45.63 96.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 18' ' ' GLU . 75.9 t -61.13 -49.3 85.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.448 0.166 . . . . 0.0 111.446 -178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.684 HD11 HD21 ' B' ' 37' ' ' LEU . 71.8 mt -50.39 -53.31 30.16 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.71 -32.01 67.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 -175.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.15 -37.98 87.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.63 -9.64 59.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 59.72 67.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.791 0.805 . . . . 0.0 109.581 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.91 118.96 65.53 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.085 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.71 161.89 11.65 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.449 2.1 . . . . 0.0 111.091 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -57.62 -36.95 72.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.621 0.248 . . . . 0.0 110.583 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.63 -50.49 72.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.287 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.527 HD11 HG22 ' A' ' 12' ' ' VAL . 25.1 tp -72.66 -31.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.648 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.414 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.8 m -62.76 -53.81 48.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.311 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -35.05 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttm -63.51 -49.76 72.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.772 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.96 38.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.684 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -54.61 -46.3 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.481 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.67 -49.96 72.04 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.671 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -65.33 -36.97 85.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.605 0.241 . . . . 0.0 110.704 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 42.1 t -60.8 -51.07 70.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.716 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.8 t -59.74 -44.31 93.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -39.28 88.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 110.513 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.54 -34.75 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.786 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.2 mt -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.316 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.83 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 58.8 mt -66.89 -44.0 81.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.742 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.74 -41.76 95.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.511 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.6 tpt180 -100.16 -33.76 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -170.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -113.76 -0.45 14.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.965 -170.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 30' ' ' THR . 41.5 t -123.78 134.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.27 . . . . 0.0 111.135 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.74 141.65 91.25 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.601 2.201 . . . . 0.0 111.238 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -52.04 -37.93 55.29 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.87 -51.64 57.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -71.01 -26.38 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.321 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 41.0 ttm180 -51.15 -49.84 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.589 0.756 . . . . 0.0 111.614 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.515 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.6 mt-30 -77.64 -27.62 51.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.28 62.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -71.49 -26.69 26.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.465 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.854 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.541 ' O ' ' HD3' ' B' ' 63' ' ' LYS . 51.6 mm-40 -62.12 -55.19 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.055 174.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.41 -45.64 93.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.636 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.54 -45.01 94.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.014 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.69 99.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.018 0.437 . . . . 0.0 110.749 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' B' ' 59' ' ' GLU . 0.6 OUTLIER -61.99 -47.46 84.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 176.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.86 90.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.528 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.53 -42.78 99.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -58.35 -41.42 84.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.983 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.6 t -61.86 -50.16 73.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.713 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.7 -38.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -66.62 -22.9 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.885 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.854 178.351 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -31.46 68.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -58.73 -38.51 78.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -70.3 -46.94 63.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.241 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 16' ' ' ILE . 38.8 t -58.97 -47.7 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.212 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.52 -42.26 96.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.675 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 12.5 p -70.07 -35.12 73.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.857 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 19' ' ' ILE . 4.7 mp -61.45 -43.91 98.04 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 12' ' ' VAL . 80.9 mt -57.32 -43.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.133 176.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.79 -39.29 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.051 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 14' ' ' SER . 17.9 mm-40 -56.72 -48.18 78.33 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.268 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' B' ' 19' ' ' ILE . 9.1 mt -68.53 -34.4 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.445 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -63.3 -38.54 91.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.425 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ALA . 93.9 t -60.14 -39.87 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.1 t -61.46 -53.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.731 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 37' ' ' LEU . 98.4 mt -53.24 -48.64 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.807 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.78 -28.14 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.5 -37.75 70.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.032 0.444 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -102.81 -0.99 30.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.1 tttp 52.27 56.79 7.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.788 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 124.53 90.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.696 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.91 173.06 5.17 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.618 2.212 . . . . 0.0 111.782 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -58.25 -41.08 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.635 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.66 -51.14 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 40.3 tp -73.17 -36.77 66.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.445 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -66.35 -47.39 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.817 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.61 -41.25 89.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.994 0.426 . . . . 0.0 110.336 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 ttm -63.59 -50.7 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.995 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.47 76.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 23' ' ' LEU . 4.0 mm? -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.68 55.52 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.735 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.23 -33.03 73.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.29 . . . . 0.0 111.331 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HA ' ' ND1' ' A' ' 43' ' ' HIS . 73.4 m -68.63 -50.03 54.51 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.485 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' B' ' 37' ' ' LEU . 79.0 t -57.75 -45.2 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.568 0.543 . . . . 0.0 110.597 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 11.4 m -63.55 -44.55 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.299 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.718 ' ND1' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -70.0 -31.27 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.691 -173.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 3.5 pp -85.93 -19.43 30.5 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.469 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 9.9 tt -69.34 -36.79 77.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 42' ' ' THR . 37.9 mt-10 -75.36 -36.29 60.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.025 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -84.8 -44.98 12.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -170.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -90.34 -20.63 22.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.449 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.635 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 55.8 t -110.38 131.03 22.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 18.9 Cg_endo -60.59 154.89 51.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.959 2.439 . . . . 0.0 112.09 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 m -54.54 -42.82 71.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.928 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.75 -32.67 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.004 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -97.08 -7.77 31.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 94.1 mtt180 -59.36 -49.43 77.84 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.553 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.29 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -71.75 -24.15 22.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.9 82.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.929 0.395 . . . . 0.0 110.331 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.91 -42.99 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.425 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.78 -49.66 76.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.609 0.242 . . . . 0.0 110.489 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.59 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.457 . . . . 0.0 110.144 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 2.3 tppp? -62.0 -52.49 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.369 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.12 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.911 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 15.2 tp -61.93 -57.65 10.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.254 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 70' ' ' LYS . . . -58.34 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -65.53 -44.69 86.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -71.75 -18.96 62.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.096 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 53.7 t -75.76 -44.09 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.595 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 26.8 pttt . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.599 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 31.1 t . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -55.81 -45.56 78.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.383 0.427 . . . . 0.0 110.03 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.82 -37.64 88.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -62.49 -48.81 77.96 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.515 0.197 . . . . 0.0 110.774 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 49.1 t -70.4 -44.11 77.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.77 -52.03 67.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.464 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -67.31 -26.58 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.929 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.601 ' O ' HG13 ' B' ' 19' ' ' ILE . 59.4 tp -68.47 -51.19 46.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 40' ' ' CYS . 86.7 mt -54.06 -44.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.695 177.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.538 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.8 -41.73 98.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.458 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.65 -39.57 91.54 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.223 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' A' ' 19' ' ' ILE . 53.0 mt -62.88 -39.81 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.114 177.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 43' ' ' HIS . 94.4 mt -63.28 -39.97 96.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.99 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.4 t -55.36 -47.56 77.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 22' ' ' VAL . 69.0 t -58.38 -52.57 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.297 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.53 HD11 HD21 ' B' ' 37' ' ' LEU . 96.1 mt -50.1 -48.47 53.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.105 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.67 -22.58 50.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.631 0.253 . . . . 0.0 111.182 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 52.3 mtpt -64.54 -27.71 69.15 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.872 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -99.2 -4.19 32.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.956 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 54.94 65.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.418 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -88.26 128.89 51.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.128 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 15.8 Cg_exo -67.59 173.27 9.16 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.714 2.276 . . . . 0.0 111.568 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.8 m -60.65 -38.22 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.646 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -54.86 22.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.926 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 28.8 tp -59.08 -37.04 76.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.489 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.432 ' O ' HD23 ' B' ' 37' ' ' LEU . 6.0 p -67.87 -44.5 76.91 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.875 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.76 -40.06 86.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.664 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.1 mtp -68.07 -53.11 28.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.46 85.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.617 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.5 mm? -66.88 -43.37 83.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.414 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.06 50.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.598 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.408 ' HA ' HD22 ' B' ' 39' ' ' ASN . 10.0 m120 -64.13 -27.02 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.584 0.23 . . . . 0.0 110.916 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 48.8 t -64.61 -44.48 90.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.1 t -60.92 -44.64 98.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.436 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -42.0 97.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 177.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.49 -30.82 71.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 93.8 mt -67.94 -41.53 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.48 -52.03 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.913 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.751 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 7.4 pt-20 -64.05 -29.58 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.685 ' HA ' ' HE ' ' B' ' 47' ' ' ARG . 1.6 mmp_? -100.15 -6.07 26.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -117.25 -39.04 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' HB2' ' B' ' 53' ' ' SER . 21.3 t -110.55 140.28 22.4 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 74.3 Cg_exo -51.64 152.94 11.81 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.056 2.504 . . . . 0.0 112.526 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.483 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 50.4 m -50.19 -56.54 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.01 -28.99 61.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.279 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.509 ' HB2' HG12 ' B' ' 49' ' ' VAL . 7.1 m -71.71 -24.87 61.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -177.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.751 ' NE ' ' HA ' ' B' ' 46' ' ' GLU . 78.3 mtt180 -55.24 -37.71 67.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -61.3 -42.15 98.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.964 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.69 83.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.48 -38.74 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.69 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.28 -44.68 94.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.013 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 2.1 mp0 -66.22 -37.97 86.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.865 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -63.45 -45.99 88.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.84 79.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.796 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 60' ' ' GLN . 22.7 mtpp -61.11 -50.15 74.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.961 175.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.13 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.082 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.7 tp -64.65 -47.06 79.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.991 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.42 88.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.678 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.72 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -36.32 74.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.085 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 65' ' ' LEU . 73.1 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.019 0.438 . . . . 0.0 110.38 174.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.94 -10.14 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.284 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.214 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.632 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 35.4 t . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.24 -50.46 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.675 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -67.19 -22.16 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 42.7 tt0 -66.02 -56.93 9.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' B' ' 32' ' ' LEU . 47.1 t -59.58 -38.82 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.788 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -53.86 -49.32 68.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.919 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 m -61.72 -38.68 88.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.02 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.613 ' O ' HG13 ' A' ' 19' ' ' ILE . 10.9 mp -62.39 -56.89 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.247 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' B' ' 36' ' ' ALA . 67.3 mt -56.28 -42.96 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.38 -46.97 85.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.667 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 27.3 tt0 -72.64 -31.18 64.92 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.13 -176.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' B' ' 19' ' ' ILE . 59.3 mt -63.27 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.632 0.729 . . . . 0.0 109.242 174.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 84.2 mt -62.33 -39.86 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.041 172.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 17' ' ' ALA . 89.7 t -63.73 -27.18 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' B' ' 22' ' ' VAL . 87.0 t -61.72 -53.95 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 109.703 172.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.663 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -56.39 -46.12 80.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.114 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.9 mm-40 -61.69 -40.71 95.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.555 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -55.37 -45.04 76.55 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -88.76 -11.25 45.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.9 ttmp? 54.64 70.29 0.63 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.493 0.663 . . . . 0.0 109.875 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -91.09 132.28 34.69 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 27.5 Cg_exo -63.07 170.24 7.91 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.604 2.203 . . . . 0.0 111.76 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -46.85 73.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.535 -176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.9 -51.54 67.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.71 -38.4 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.724 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 37' ' ' LEU . 54.4 m -64.7 -53.65 43.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.95 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.32 -39.75 88.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.757 0.313 . . . . 0.0 111.062 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 ttm -63.14 -45.82 90.12 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.23 71.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -58.9 -45.2 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.518 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.43 87.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.708 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.574 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 34.0 m-80 -65.75 -33.01 74.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 111.104 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' HG23 ' B' ' 16' ' ' ILE . 79.8 m -66.05 -31.3 72.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.837 -0.165 . . . . 0.0 110.752 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' B' ' 65' ' ' LEU . 48.5 t -71.78 -51.68 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.694 0.283 . . . . 0.0 110.585 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 p -66.93 -40.82 87.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.632 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -60.88 -20.39 61.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.044 -178.04 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 65.1 mt -85.72 -41.48 15.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 109.97 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 60.9 mt -60.48 -53.93 51.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 2.9 mp0 -63.25 -21.11 66.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.197 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 7.4 tpt180 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -173.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -106.09 -38.04 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.22 129.89 24.33 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 120.588 0.233 . . . . 0.0 111.578 -168.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.23 143.22 85.93 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.806 2.337 . . . . 0.0 111.376 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.7 m -52.21 -33.96 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -172.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -72.0 -46.51 56.96 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.448 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' VAL . 16.5 m -74.21 -25.69 59.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.029 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 35.7 ttm180 -57.73 -34.39 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.67 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 51' ' ' SER . 65.3 mt-30 -63.78 -43.93 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.356 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.22 82.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.811 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 53' ' ' SER . 61.2 t -61.88 -41.29 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.354 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.78 99.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -58.15 -48.43 80.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.588 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.3 -34.15 67.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.344 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.48 -51.41 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.424 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -31.72 72.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.303 0.573 . . . . 0.0 110.402 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 63' ' ' LYS . 2.2 ttmp? -66.99 -44.55 80.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.31 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.76 81.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.61 -55.96 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.053 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.49 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.23 -41.3 88.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.541 ' HB2' HG21 ' B' ' 42' ' ' THR . 18.4 m -66.58 -33.87 76.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.12 0.486 . . . . 0.0 110.463 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.07 -40.64 78.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.162 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.87 -47.5 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.423 . . . . 0.0 110.329 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.3 m -60.15 -41.37 92.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.452 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.75 -51.86 64.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.325 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.42 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.49 -20.11 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.543 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -78.05 -36.03 48.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.566 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.8 tp -60.33 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.5 mt -56.21 -41.77 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.79 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.576 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.59 -45.17 81.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.609 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.56 -39.68 94.19 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' A' ' 19' ' ' ILE . 29.4 mt -60.04 -40.75 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.251 0.548 . . . . 0.0 109.776 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 46.7 mt -67.62 -40.11 84.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.773 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 17' ' ' ALA . 94.9 t -57.91 -42.02 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.527 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 22' ' ' VAL . 70.0 t -62.19 -49.98 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.655 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.35 -48.11 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.034 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.37 -44.96 92.66 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.887 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -65.25 -27.65 68.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 111.602 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -90.72 -4.34 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 9.5 mtpm? 54.1 39.56 30.77 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.64 0.587 . . . . 0.0 110.527 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.62 121.73 85.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.063 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.52 171.94 14.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.688 2.258 . . . . 0.0 111.721 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -56.53 -43.71 80.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.06 -49.18 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.555 0.217 . . . . 0.0 110.791 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.46 HD11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -62.53 -41.52 98.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.461 ' O ' HD23 ' B' ' 37' ' ' LEU . 35.1 p -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.044 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.74 -40.51 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 84.0 mtp -63.94 -41.97 97.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.733 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -68.42 -50.7 50.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.285 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.0 mm? -58.08 -43.27 86.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.265 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.79 71.24 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.842 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 40.9 m-80 -71.07 -29.3 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.738 -0.271 . . . . 0.0 110.923 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.497 ' SG ' HD11 ' A' ' 37' ' ' LEU . 42.4 t -63.83 -49.97 70.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.414 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -61.22 -47.24 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.619 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 68' ' ' SER . 9.2 m -62.97 -36.43 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.356 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -69.59 -26.19 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.961 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 96.3 mt -65.8 -37.56 86.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.36 -37.5 87.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.568 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.52 -33.89 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -95.11 -42.11 8.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -106.75 -6.31 17.89 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -171.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.79 132.61 24.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 0.0 111.408 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.623 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.81 153.79 41.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.993 2.462 . . . . 0.0 111.919 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 17.5 m -53.54 -47.92 69.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -32.92 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.387 . . . . 0.0 111.011 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' B' ' 50' ' ' PRO . 28.2 t -74.22 -17.81 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 -177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.4 mtt180 -60.33 -38.86 85.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.11 -41.76 85.69 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.474 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.017 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 53' ' ' SER . 49.9 t -68.11 -37.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.73 84.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.731 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.08 -45.8 91.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.21 -48.21 81.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.67 -44.5 96.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.329 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.23 89.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.22 -38.28 60.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.971 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.385 0.612 . . . . 0.0 109.978 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.485 HD11 ' HB ' ' A' ' 41' ' ' VAL . 14.4 tp -65.45 -51.27 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.971 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.9 82.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -62.03 -38.17 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -67.86 -30.5 69.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.28 -42.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 109.957 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -67.17 -12.27 59.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.506 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.812 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 29.5 t . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.19 -32.03 73.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -67.21 -38.13 84.77 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.49 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 6.0 tp-100 -60.61 -53.47 57.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.212 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 16' ' ' ILE . 60.7 t -57.05 -48.96 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.969 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.38 -45.48 84.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.025 0.44 . . . . 0.0 110.841 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.2 m -65.42 -39.63 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 19' ' ' ILE . 38.8 tp -62.12 -47.11 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.003 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 12' ' ' VAL . 38.4 mm -55.36 -49.85 69.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 110.478 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.569 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.28 -40.67 90.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.648 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' B' ' 19' ' ' ILE . 69.8 mt -62.76 -42.25 95.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.28 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.3 mt -65.69 -33.94 77.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.617 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 17' ' ' ALA . 66.0 t -62.05 -33.46 58.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.471 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' B' ' 22' ' ' VAL . 63.9 t -64.29 -51.56 66.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.921 176.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 33' ' ' SER . 96.1 mt -55.41 -43.98 75.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.22 -33.23 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.51 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.149 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -92.02 -6.74 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.48 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.32 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.191 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.62 127.23 27.18 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.862 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.8 162.22 19.29 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.443 2.095 . . . . 0.0 111.467 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.5 m -51.91 -39.44 59.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.467 . . . . 0.0 110.614 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.78 -52.93 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.532 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.847 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 23' ' ' LEU . 58.0 m -64.2 -45.5 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.664 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.2 mt -58.43 -39.77 80.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.293 176.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.84 -57.75 10.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 111.18 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.608 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -74.78 -28.3 60.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.06 -176.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' HD23 ' A' ' 37' ' ' LEU . . . -66.09 -49.47 57.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.471 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -66.87 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.434 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.1 t -61.13 -50.38 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.173 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' B' ' 37' ' ' LEU . 61.2 t -52.11 -53.71 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.308 177.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -39.09 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.076 0.465 . . . . 0.0 111.005 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -67.79 -24.23 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 87.8 mt -68.46 -40.51 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.36 . . . . 0.0 110.145 175.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.04 -38.61 91.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.251 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 24.4 mm-40 -64.84 -21.57 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.003 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 9.0 ptp180 -105.76 -50.22 3.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 50.8 mttp -90.69 -10.65 42.32 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -172.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.3 t -123.79 133.22 24.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.424 . . . . 0.0 111.465 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.576 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 37.5 Cg_exo -61.69 148.26 93.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.695 2.263 . . . . 0.0 111.12 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -54.5 -42.1 70.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 0.0 111.364 -175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.6 mp0 -58.92 -33.56 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.544 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 m -93.19 -23.3 18.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.672 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.7 mtt180 -54.55 -47.78 72.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.532 ' HG3' ' HG2' ' B' ' 70' ' ' LYS . 46.5 tt0 -62.14 -40.95 97.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.973 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.91 88.06 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.95 -40.1 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.703 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' B' ' 69' ' ' VAL . . . -58.25 -50.25 74.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.396 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -58.4 -43.2 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.97 -39.98 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.414 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.2 -42.82 99.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.711 0.291 . . . . 0.0 110.253 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.88 -43.54 90.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.32 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 32.2 ttmt -60.68 -51.96 67.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.567 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.95 99.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.565 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.77 -49.18 78.63 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.366 0.603 . . . . 0.0 110.144 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.82 91.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 13.9 mm100 -66.47 -34.11 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.167 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 t -62.51 -34.4 76.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.7 t -87.51 -42.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.159 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm . . . . . 0 N--CA 1.466 0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.193 -174.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.95 -28.71 70.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -69.33 -38.95 78.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.391 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -62.48 -55.41 27.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.543 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 11.4 t -65.01 -39.21 84.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.389 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -54.18 -56.74 15.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.629 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 50.9 m -69.26 -27.22 65.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.274 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.504 ' O ' HG13 ' B' ' 19' ' ' ILE . 32.4 tp -66.46 -43.32 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 84.7 mt -61.2 -41.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.669 174.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.554 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.47 -38.45 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.008 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' B' ' 14' ' ' SER . 22.7 mm-40 -57.21 -49.9 74.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.325 0.583 . . . . 0.0 110.013 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -63.34 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.552 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.9 mt -61.79 -40.22 94.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.988 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 17' ' ' ALA . 65.0 t -61.01 -42.24 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 22' ' ' VAL . 58.7 t -56.42 -55.82 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.978 0.418 . . . . 0.0 110.61 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.722 HD11 HD21 ' B' ' 37' ' ' LEU . 62.4 mt -57.12 -47.65 80.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.838 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.97 -29.95 61.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -65.84 -44.17 86.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.046 0.45 . . . . 0.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -77.91 -7.18 56.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 tttp 54.79 58.8 4.52 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.474 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.42 116.31 62.99 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.065 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.96 167.46 7.18 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.634 2.222 . . . . 0.0 111.479 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -50.72 -42.15 56.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.307 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.3 -55.56 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.497 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -76.42 -34.6 58.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.658 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -67.64 -46.37 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.5 0.19 . . . . 0.0 111.119 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.43 -37.88 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.83 -40.98 94.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.318 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.13 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.059 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.722 HD21 HD11 ' B' ' 23' ' ' LEU . 4.4 mm? -59.86 -35.97 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.356 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.22 -38.27 94.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.355 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -82.36 -20.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.568 0.223 . . . . 0.0 111.099 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.74 -50.16 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.652 0.263 . . . . 0.0 110.362 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 37' ' ' LEU . 56.5 t -57.76 -46.12 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.336 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -38.58 79.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.821 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.38 -32.46 74.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.598 0.237 . . . . 0.0 110.738 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.32 -43.91 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 0.0 109.94 175.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.729 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 91.0 mt -64.59 -51.0 64.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.214 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.2 mm-40 -63.23 -18.15 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -100.14 -56.33 2.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.519 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -84.29 -42.56 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.91 127.88 41.41 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.125 -171.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.37 148.56 86.06 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.552 2.168 . . . . 0.0 111.243 174.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.476 ' HA ' ' HB3' ' B' ' 54' ' ' ARG . 22.9 t -50.81 -35.27 31.33 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -50.25 -51.48 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.467 0.479 . . . . 0.0 111.22 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m -94.41 -23.14 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.905 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 36.2 ttm180 -52.91 -53.71 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.36 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.486 HE21 ' C ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.72 -33.69 74.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.287 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.12 80.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.227 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.69 -39.2 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.24 -50.38 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.11 -38.78 89.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.544 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.12 -44.51 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.397 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.7 -43.56 98.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.211 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.2 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -66.22 -41.74 89.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 0.0 111.076 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.4 tp -66.87 -48.26 69.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.987 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -61.29 -42.69 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.903 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -54.18 -48.87 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.375 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -65.76 -34.99 79.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.541 0.21 . . . . 0.0 111.498 -176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.483 HG21 ' HB2' ' A' ' 58' ' ' ALA . 58.0 t -67.5 -46.31 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.483 0.659 . . . . 0.0 110.362 175.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.532 ' HG2' ' HG3' ' A' ' 55' ' ' GLN . 34.4 mtpt -74.96 -1.53 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.884 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 60.5 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.183 173.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.22 -51.04 65.71 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.26 0.35 . . . . 0.0 111.255 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -63.43 -31.13 72.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.7 -45.98 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.186 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.49 -44.68 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.25 -43.99 71.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.84 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -61.98 -40.51 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.6 mp -69.85 -45.83 66.92 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.855 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.4 mt -55.34 -47.38 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 O-C-N 123.24 0.338 . . . . 0.0 110.495 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.8 -38.4 81.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.461 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -68.62 -40.83 80.19 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.058 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' B' ' 19' ' ' ILE . 37.5 mt -65.87 -35.23 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.843 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 78.8 mt -64.2 -35.06 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.5 t -59.3 -40.94 82.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.7 t -58.63 -56.24 17.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 175.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.4 -44.31 72.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.752 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.78 -29.93 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.241 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.79 -43.11 76.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.107 0.48 . . . . 0.0 110.72 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -88.55 -8.69 54.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.884 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 3.9 ttmp? 58.48 59.05 3.11 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.717 0.77 . . . . 0.0 109.328 -174.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.63 124.63 75.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.37 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.53 172.5 13.27 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.62 2.213 . . . . 0.0 111.517 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.46 ' OG1' ' HG3' ' B' ' 48' ' ' LYS . 18.2 m -63.42 -32.55 74.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.003 0.43 . . . . 0.0 110.87 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.69 -52.12 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.127 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 tp -71.32 -33.77 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.349 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.4 p -68.76 -42.95 76.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.54 -41.37 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.35 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.6 tpp -60.71 -46.7 89.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.661 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.66 79.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.646 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 3.4 mm? -56.39 -49.36 74.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.807 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -19.05 58.73 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.078 -177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -95.11 -44.18 7.77 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.667 -0.314 . . . . 0.0 111.155 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 37' ' ' LEU . 27.1 p -67.98 -42.53 80.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.235 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' B' ' 37' ' ' LEU . 62.2 t -60.13 -47.42 92.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.135 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.52 ' OG1' HD22 ' B' ' 65' ' ' LEU . 4.3 m -75.82 -20.3 58.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.494 -174.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -74.12 -39.66 63.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.8 -37.27 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.273 0.559 . . . . 0.0 109.721 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.655 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 tt -66.62 -24.24 66.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.328 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.77 -45.06 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -81.77 -39.61 23.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.277 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -100.39 -0.32 38.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.832 -170.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.655 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 63.5 t -123.72 130.94 24.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.295 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 10.0 Cg_endo -54.58 149.91 37.46 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.927 2.418 . . . . 0.0 112.403 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.8 p -49.22 -56.78 8.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.914 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.22 -36.81 85.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 9.3 t -75.25 -19.38 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 -174.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.8 mtt180 -53.59 -43.29 68.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.212 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 46.5 mt-30 -59.73 -52.84 63.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.646 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.27 -48.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.884 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.2 95.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.008 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 45.9 mt-10 -61.47 -49.23 77.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.666 0.27 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -63.66 -46.93 83.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.66 -47.28 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -63.9 -39.36 94.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -67.28 -40.15 86.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.39 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.97 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.477 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.1 tp -61.09 -55.74 29.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.272 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.93 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.56 -46.12 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.2 p -67.26 -23.9 65.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.378 -176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 65' ' ' LEU . 58.9 t -72.43 -28.68 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.497 . . . . 0.0 110.167 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -177.639 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -58.21 -36.15 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.6 m -63.01 -35.36 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -75.93 -49.11 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.457 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -41.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.449 . . . . 0.0 110.069 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.82 -47.33 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.758 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -61.82 -37.28 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.601 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.511 ' O ' HG13 ' B' ' 19' ' ' ILE . 8.8 mp -62.01 -61.14 2.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.246 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -53.8 -39.99 41.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.762 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.16 -60.28 3.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.715 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.15 -33.93 75.39 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.553 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' A' ' 19' ' ' ILE . 73.5 mt -61.52 -45.2 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.031 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.8 -35.92 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.615 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 17' ' ' ALA . 32.8 t -55.97 -48.02 79.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.757 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 22' ' ' VAL . 79.4 t -60.36 -47.25 93.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.068 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.747 HD11 HD21 ' B' ' 37' ' ' LEU . 58.0 mt -63.76 -44.07 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.25 -32.24 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.7 -35.8 77.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.83 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 37.1 m170 -72.49 -28.03 62.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.08 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 53.81 44.46 29.52 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 122.07 0.938 . . . . 0.0 108.667 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 143.15 82.11 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.407 -1.269 . . . . 0.0 111.261 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.54 158.89 21.74 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.859 2.373 . . . . 0.0 111.579 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m -61.42 -35.85 78.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.736 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.15 -52.99 62.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.502 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.37 -30.03 69.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.492 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.481 ' O ' HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.5 -55.67 14.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.408 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.07 -37.72 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.91 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -65.07 -46.13 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.421 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.4 69.95 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.857 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.747 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.32 -39.47 93.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.332 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -48.67 78.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 35.4 m-80 -64.07 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.971 0.415 . . . . 0.0 110.653 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -67.43 -32.47 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.871 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 37' ' ' LEU . 41.3 t -69.46 -50.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.903 0.382 . . . . 0.0 110.249 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.6 p -67.28 -38.91 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.869 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.2 OUTLIER -63.95 -16.33 61.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -177.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.96 -45.58 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.362 . . . . 0.0 110.172 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 78.8 mt -59.93 -48.65 80.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -75.77 -2.27 29.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.798 0.332 . . . . 0.0 111.56 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -101.05 -49.75 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.559 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.46 ' HG3' ' OG1' ' A' ' 30' ' ' THR . 31.3 mmmt -117.7 6.28 12.38 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 38.7 t -123.58 130.97 24.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.445 0.164 . . . . 0.0 110.803 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.619 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 17.8 Cg_endo -61.12 153.09 67.12 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.862 2.375 . . . . 0.0 111.874 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -53.12 -38.99 63.11 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.86 -50.6 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.252 0.549 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -75.2 -21.52 58.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.53 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.8 mtt180 -53.02 -49.06 67.02 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.72 0.295 . . . . 0.0 110.722 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -71.07 -39.04 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.89 87.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.863 0.363 . . . . 0.0 111.332 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.22 -37.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.075 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.46 -32.25 71.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.598 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 50.9 t80 -59.72 -49.16 78.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.869 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.5 -42.49 96.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.928 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.12 -37.24 86.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.073 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.24 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.957 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.8 mt -63.52 -51.24 66.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.218 0.532 . . . . 0.0 109.642 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.41 83.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.493 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' B' ' 71' ' ' SER . 35.0 tt0 -62.93 -42.68 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.738 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -64.92 -26.85 68.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.358 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -95.69 -52.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 111.284 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -79.25 -37.45 37.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -169.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 67' ' ' GLN . 47.0 t . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.738 0.304 . . . . 0.0 111.338 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.803 0.335 . . . . 0.0 110.303 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -76.61 -35.44 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.817 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.7 -45.58 93.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.41 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 HD11 ' B' ' 32' ' ' LEU . 39.8 t -60.29 -45.63 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.38 -47.76 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.777 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 t -61.56 -38.26 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.656 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.3 tp -63.23 -51.32 66.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.443 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 19' ' ' ILE . 74.2 mt -59.21 -40.67 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.66 -46.21 81.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.846 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.37 -41.58 97.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' B' ' 19' ' ' ILE . 47.4 mt -61.95 -44.61 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.359 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.54 -40.85 96.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.821 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 17' ' ' ALA . 64.0 t -65.26 -33.73 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' B' ' 22' ' ' VAL . 54.5 t -64.44 -44.33 97.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.314 . . . . 0.0 110.481 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.9 -34.02 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.933 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 11.1 tp10 -61.07 -44.38 97.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.791 0.329 . . . . 0.0 110.392 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 21' ' ' VAL . 61.1 mttm -61.58 -24.02 66.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.274 0.559 . . . . 0.0 110.586 176.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' ND1' ' HG ' ' B' ' 15' ' ' LEU . 57.1 m170 -84.86 -30.87 24.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.548 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 57.4 40.66 27.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.632 0.729 . . . . 0.0 109.966 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -78.44 137.29 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.676 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 18.4 Cg_exo -67.01 167.72 19.15 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.216 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -51.08 -40.31 58.09 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.491 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 35' ' ' MET . 4.8 m-20 -55.23 -66.1 0.47 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.124 0.488 . . . . 0.0 110.911 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.54 -30.09 71.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.284 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 37' ' ' LEU . 23.2 t -63.06 -51.36 67.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.263 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.73 -38.05 89.66 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.456 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 91.8 mmm -61.08 -41.87 97.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.527 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.22 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -57.02 -48.51 78.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.15 87.34 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.191 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -78.05 -46.54 20.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.59 -0.359 . . . . 0.0 111.656 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.1 p -66.08 -38.29 87.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.215 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG22 ' HB3' ' B' ' 37' ' ' LEU . 97.4 t -63.47 -48.19 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.504 ' OG1' ' HG ' ' B' ' 65' ' ' LEU . 42.9 m -63.14 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.646 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.55 -28.02 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.9 mt -63.91 -59.34 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.691 0.281 . . . . 0.0 110.897 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.742 ' H ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.5 -7.46 57.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 111.174 -178.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -38.57 36.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.157 0.503 . . . . 0.0 110.362 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -97.71 -19.84 17.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.196 -172.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -115.77 -7.3 12.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 59.2 t -123.34 129.0 25.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.791 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.94 150.47 37.78 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.153 2.569 . . . . 0.0 111.908 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -39.81 72.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -60.13 -36.47 77.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 57' ' ' VAL . 49.1 m -97.45 -15.43 20.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.129 0.49 . . . . 0.0 110.876 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG2' HG13 ' B' ' 69' ' ' VAL . 33.3 ttm180 -57.58 -39.81 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.216 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.09 -38.36 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.586 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.21 65.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.547 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 53' ' ' SER . 98.7 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.292 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.16 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.9 -49.94 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.56 -35.2 80.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.59 -44.12 75.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.164 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.36 -46.43 88.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.56 88.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.01 -50.79 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.341 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.38 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.397 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.43 -32.69 73.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.468 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -66.42 -37.72 85.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.377 . . . . 0.0 110.333 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.65 -40.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.036 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 177.725 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.676 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.194 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.26 -56.01 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.048 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 16' ' ' ILE . 50.7 t -60.52 -43.97 95.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.611 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.68 -43.19 89.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 35.4 t -62.64 -39.56 94.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.33 . . . . 0.0 110.43 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.635 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.8 mp -63.69 -49.27 73.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.265 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 12' ' ' VAL . 37.1 mm -54.74 -48.81 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.528 0.518 . . . . 0.0 110.894 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -54.56 -49.06 71.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.465 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 31.6 mt-10 -65.56 -34.24 77.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' A' ' 19' ' ' ILE . 21.2 mt -69.79 -38.23 75.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.397 0.618 . . . . 0.0 109.769 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 87.4 mt -67.96 -33.19 74.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.768 175.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 17' ' ' ALA . 54.1 t -61.18 -37.42 77.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.298 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 22' ' ' VAL . 76.7 t -59.69 -53.76 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.174 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.01 -52.13 46.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.373 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.97 -37.77 88.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.84 -22.75 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -106.03 6.46 31.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.62 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.41 45.1 23.32 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 111.312 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.55 120.43 74.15 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.03 171.13 7.93 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.642 2.228 . . . . 0.0 111.569 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -57.92 -38.29 75.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.78 -52.78 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.826 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.577 HD11 HG22 ' A' ' 12' ' ' VAL . 28.7 tp -69.41 -30.79 68.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.692 -176.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -53.19 58.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.63 -39.16 87.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 110.533 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.76 -51.76 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.21 70.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.698 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mm? -63.47 -36.6 84.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.032 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.34 -51.45 57.97 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.089 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.53 -31.24 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 t -61.83 -46.19 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 37' ' ' LEU . 52.1 t -61.3 -50.51 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -38.28 81.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.019 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.88 -37.24 84.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.6 mt -66.97 -48.87 67.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.72 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 75.0 mt -61.7 -38.58 88.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.081 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.23 -35.47 77.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.074 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.64 -42.7 9.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.595 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 48' ' ' LYS . 63.9 mmtt -82.98 -43.76 16.03 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.54 130.45 23.23 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.31 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.15 148.4 40.34 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.047 2.498 . . . . 0.0 112.2 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -47.25 -44.42 22.87 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.1 pm0 -69.26 -44.31 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.207 -0.308 . . . . 0.0 111.028 -176.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . 23.8 t -74.56 -28.53 60.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 31.1 ttm180 -54.08 -45.44 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.197 175.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -68.14 -39.18 82.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.9 86.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' SER . 65.8 t -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.334 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.18 96.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.67 -46.85 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.342 0.591 . . . . 0.0 110.699 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -77.41 -30.0 53.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.986 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.72 -51.67 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.094 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -61.59 -34.12 75.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -69.02 -37.96 78.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.891 178.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.61 95.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' OG1' ' A' ' 42' ' ' THR . 9.8 mp -63.1 -48.79 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.585 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.7 89.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.3 -38.69 88.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.9 t -62.48 -47.27 84.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.428 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 54' ' ' ARG . 94.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -71.45 -26.2 62.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.998 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.699 178.048 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.2 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.39 -43.41 83.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.85 0.357 . . . . 0.0 110.186 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 m -60.19 -43.27 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.655 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -62.37 -49.16 76.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.678 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.9 t -58.82 -47.76 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.429 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.4 -42.38 95.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.318 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.5 t -62.84 -39.24 93.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -67.15 -41.71 85.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.801 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.7 mt -57.37 -47.48 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.6 -35.61 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.279 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.13 -49.08 66.08 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 110.28 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' B' ' 19' ' ' ILE . 51.0 mt -60.3 -37.44 73.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.77 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 76.3 mt -63.32 -40.55 97.62 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.14 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' ALA . 83.0 t -56.41 -44.11 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.92 0.39 . . . . 0.0 110.601 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' B' ' 22' ' ' VAL . 67.9 t -59.01 -46.13 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.489 HD11 HD21 ' A' ' 37' ' ' LEU . 95.2 mt -62.82 -41.6 99.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.688 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 45.1 mt-10 -59.71 -39.26 84.03 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -59.47 -29.13 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.658 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 28.9 m170 -83.43 -29.4 28.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.879 -177.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 56.27 46.27 21.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.619 0.723 . . . . 0.0 109.224 -170.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -77.75 136.44 63.09 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.107 -176.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 22.1 Cg_exo -65.83 164.11 28.22 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.736 2.291 . . . . 0.0 111.741 177.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.62 -37.69 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.328 0.585 . . . . 0.0 111.074 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.6 -45.58 86.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.575 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.21 -37.9 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.166 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.402 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.1 p -64.51 -48.04 76.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.865 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.45 -38.24 80.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.897 0.379 . . . . 0.0 110.594 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.19 -46.88 82.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.857 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' B' ' 41' ' ' VAL . 3.9 mm? -58.8 -44.75 90.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.989 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -48.44 83.95 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.478 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.91 -37.71 88.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.1 t -61.36 -53.42 56.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' B' ' 37' ' ' LEU . 84.5 t -57.87 -45.29 87.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 m -62.92 -39.85 95.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -72.95 -28.69 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 97.4 mt -68.9 -44.9 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.37 -25.78 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.386 177.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -72.45 -49.29 34.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -90.55 -42.04 11.04 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -169.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.82 -7.06 47.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 46.5 t -123.42 124.57 26.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.613 0.244 . . . . 0.0 110.915 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.08 150.0 86.42 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.031 2.487 . . . . 0.0 112.009 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 p -49.77 -43.61 48.25 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.15 -47.81 71.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -90.3 -12.27 38.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.385 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -61.58 -39.79 92.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.433 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HA ' HG11 ' B' ' 69' ' ' VAL . 34.4 tt0 -77.26 -35.48 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.25 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.552 ' HB ' HD21 ' A' ' 45' ' ' LEU . 90.3 t -66.87 -36.33 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.04 79.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.3 -53.96 52.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.016 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.95 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.341 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.27 -46.68 87.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.19 -40.83 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.119 0.485 . . . . 0.0 111.3 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -75.71 -35.81 60.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.733 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.5 -36.16 82.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.37 -49.9 76.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.177 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.46 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.025 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.45 -30.59 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 m -66.27 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.238 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.21 -29.95 38.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.573 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.261 -178.048 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -60.07 -35.03 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -70.99 -22.62 62.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -76.18 -52.39 10.16 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.61 -46.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.244 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.9 -43.62 98.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.451 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 35.7 t -56.21 -51.79 66.77 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.55 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.9 mp -57.56 -54.01 51.7 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 87.6 mt -54.74 -47.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -64.57 -43.12 94.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.282 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 12.8 pt-20 -77.84 -22.83 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.263 -173.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' A' ' 19' ' ' ILE . 65.3 mt -73.79 -34.89 41.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.6 mt -64.39 -37.0 85.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.933 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 17' ' ' ALA . 69.5 t -58.05 -40.2 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.404 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 22' ' ' VAL . 45.0 t -55.03 -56.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.23 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.675 HD11 HD21 ' B' ' 37' ' ' LEU . 94.9 mt -57.1 -51.91 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.404 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.09 -28.69 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -68.81 -27.34 65.77 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.981 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -110.06 6.17 22.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 110.004 170.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tttp 44.13 43.93 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.975 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 127.8 3.03 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.826 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.56 168.36 4.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.304 2.669 . . . . 0.0 112.703 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -58.24 -51.93 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.555 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.95 -50.42 73.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.74 -38.76 82.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.927 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.2 m -61.68 -49.79 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.426 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.17 -39.19 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 91.8 mtp -64.49 -51.07 64.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.43 76.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.04 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.675 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.3 -44.34 91.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.368 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.55 -47.02 92.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.437 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.04 -29.33 67.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.568 0.223 . . . . 0.0 110.673 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.44 -46.44 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.719 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 37' ' ' LEU . 80.3 t -58.22 -45.01 89.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.005 0.431 . . . . 0.0 110.238 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.8 m -66.31 -39.55 89.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.456 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -58.42 -37.83 76.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.128 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 95.8 mt -64.01 -47.24 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.797 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 84.6 mt -62.38 -41.92 99.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.46 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 42' ' ' THR . 8.5 mm-40 -57.94 -52.64 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -102.11 6.07 40.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -169.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' B' ' 44' ' ' LEU . 72.9 mmtt -120.14 -50.34 2.26 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.938 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 t -97.08 133.05 24.6 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.865 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.39 141.71 89.21 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.748 2.299 . . . . 0.0 111.046 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -49.53 -39.02 32.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.966 0.506 . . . . 0.0 112.338 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.5 mp0 -59.58 -51.49 69.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.446 ' O ' HG23 ' B' ' 57' ' ' VAL . 20.5 t -77.99 -27.07 48.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.211 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.797 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 37.1 ttm180 -53.21 -49.61 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.09 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.14 -44.22 97.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.323 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.44 97.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.824 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 53' ' ' SER . 96.7 t -65.41 -44.85 94.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.345 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.12 82.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.04 -36.96 78.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.255 0.55 . . . . 0.0 110.158 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.56 -46.56 82.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.285 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -58.04 -41.83 84.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.49 -52.11 65.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.72 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.46 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.05 -54.34 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.125 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -63.86 -39.19 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.386 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.14 -39.38 82.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.583 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.1 m -65.12 -39.55 93.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.362 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.501 HG11 ' HA ' ' A' ' 55' ' ' GLN . 49.1 t -71.99 -34.87 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.855 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 68.5 mttm -61.7 -43.05 99.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.743 177.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 -176.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.05 -31.76 71.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.924 0.392 . . . . 0.0 110.357 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -60.56 -44.59 95.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.708 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -66.0 -44.95 83.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.779 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.1 -48.37 84.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.17 -38.11 78.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -62.17 -43.98 97.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.589 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.9 tt -60.71 -47.51 85.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.683 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.3 mt -59.13 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.17 -39.99 84.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.66 -47.99 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.153 0.502 . . . . 0.0 110.336 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' LEU . 8.0 mt -64.59 -37.04 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.325 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 89.1 mt -66.12 -36.75 83.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.939 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 73.7 t -59.08 -44.11 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.352 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' B' ' 22' ' ' VAL . 87.6 t -63.81 -35.15 72.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.157 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.78 -41.13 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -66.45 -34.23 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.211 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 71.0 mmtt -58.15 -43.27 87.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.541 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -99.82 -14.21 18.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 56.72 71.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.36 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.81 124.14 69.54 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.361 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.02 171.08 6.57 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.433 2.089 . . . . 0.0 111.784 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.7 m -53.91 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 0.0 110.96 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.1 -51.15 70.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.82 -38.73 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.774 -176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m -63.02 -45.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.086 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 30' ' ' THR . 94.0 mt -60.81 -41.11 95.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 0.0 110.74 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.51 -45.64 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.997 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mm? -59.6 -50.24 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.98 -45.47 95.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.842 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.39 -34.88 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 0.162 . . . . 0.0 111.064 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 47.0 t -68.23 -35.06 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.659 0.266 . . . . 0.0 110.574 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 67.9 t -63.68 -48.79 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -63.6 -38.83 92.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.373 0.606 . . . . 0.0 109.937 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' ND1' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t-80 -48.54 -54.16 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.442 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.633 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 6.8 mt -72.83 -26.13 61.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.522 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 49' ' ' VAL . 88.2 mt -65.95 -44.83 83.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.915 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -79.46 -8.46 59.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.562 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -107.77 -52.04 2.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -115.64 13.14 16.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 45' ' ' LEU . 50.3 t -123.63 131.58 24.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 Cg_endo -50.55 145.36 22.58 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.119 2.546 . . . . 0.0 112.106 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 m -51.29 -56.63 11.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -169.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.62 -13.97 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.892 0.377 . . . . 0.0 111.411 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 45.7 t -86.27 -24.04 26.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.12 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 98.6 mtt180 -53.97 -48.16 70.62 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.881 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -38.33 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.976 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -62.28 -52.16 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.692 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.7 -38.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.38 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.18 83.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 75.0 mm-40 -60.89 -49.75 76.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 23.9 mt-30 -58.39 -52.74 64.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.13 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -61.42 -44.78 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.29 97.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 59' ' ' GLU . 37.4 mttm -74.37 -35.22 63.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.604 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.09 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.584 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.32 -49.28 74.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.553 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.34 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.935 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 6.3 tp60 -65.23 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.78 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -64.74 -35.36 80.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.834 0.35 . . . . 0.0 110.282 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.01 -42.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.575 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.9 tttt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 -178.603 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.446 -0.669 0 CA-C-O 120.903 0.383 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.53 -25.57 68.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.27 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -63.72 -38.7 92.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.26 0.552 . . . . 0.0 110.181 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.63 -50.13 59.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.363 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.424 ' O ' HG13 ' B' ' 16' ' ' ILE . 25.8 t -62.76 -43.05 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.13 -45.11 79.68 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -62.27 -41.01 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 tp -65.25 -45.29 85.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.369 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.44 HG22 HD22 ' B' ' 20' ' ' LEU . 88.0 mt -61.06 -43.57 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.658 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.602 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -58.0 -41.68 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.89 -45.71 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 9.4 pt -70.27 -29.97 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.885 0.374 . . . . 0.0 110.709 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.44 HD22 HG22 ' B' ' 16' ' ' ILE . 5.6 mp -69.4 -39.32 78.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 176.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 17' ' ' ALA . 70.0 t -56.46 -44.68 80.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' A' ' 22' ' ' VAL . 61.9 t -60.13 -53.05 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.4 ' HA ' ' ND1' ' B' ' 26' ' ' HIS . 94.7 mt -60.03 -43.02 95.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.7 -16.95 60.09 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.588 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' B' ' 21' ' ' VAL . 93.9 mttt -72.88 -15.53 61.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.222 0.534 . . . . 0.0 109.764 169.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.435 ' CE1' HG12 ' B' ' 22' ' ' VAL . 13.4 m170 -92.32 -22.99 19.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.813 173.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 tttt 50.56 62.38 2.72 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.113 -165.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD2' ' B' ' 29' ' ' PRO . . . -76.52 118.23 70.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.816 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 36.9 Cg_endo -66.19 164.05 29.37 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.603 2.202 . . . . 0.0 110.932 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -44.37 48.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.395 0.434 . . . . 0.0 111.645 -176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.31 -58.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.937 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.39 -30.98 66.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -71.55 -48.6 47.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.684 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.19 -34.73 77.0 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.2 tpp -59.93 -51.17 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.28 72.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.4 mm? -59.96 -47.14 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.376 -178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.53 -43.01 96.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.099 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 30.6 m-80 -69.01 -31.22 69.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.587 0.232 . . . . 0.0 111.281 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 16' ' ' ILE . 76.6 m -70.34 -33.06 71.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.538 0.209 . . . . 0.0 110.756 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 37' ' ' LEU . 58.1 t -68.02 -47.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.844 0.354 . . . . 0.0 110.366 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -69.19 -37.25 78.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.761 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.0 OUTLIER -54.13 -30.66 49.81 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.309 177.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.403 ' HG ' ' CE1' ' B' ' 43' ' ' HIS . 66.9 mt -85.98 -44.61 12.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 110.64 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 35.3 mt -61.72 -35.51 78.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.24 -178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.87 -38.21 19.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -39.12 17.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 10.4 mmpt? -98.46 -37.52 9.56 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.784 -173.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 26.9 t -96.26 131.3 28.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.726 0.298 . . . . 0.0 111.03 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.518 ' HB2' ' OE1' ' B' ' 52' ' ' GLU . 22.1 Cg_exo -65.28 150.29 87.52 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 111.435 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' B' ' 54' ' ' ARG . 3.5 m -54.39 -40.26 68.04 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -170.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.584 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -66.28 -50.09 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.425 0.631 . . . . 0.0 110.004 -178.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.422 ' O ' HG23 ' B' ' 57' ' ' VAL . 9.8 m -70.74 -25.49 62.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' B' ' 51' ' ' SER . 37.7 ttm180 -57.53 -44.43 85.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.811 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.93 -42.81 89.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.959 0.409 . . . . 0.0 110.712 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.65 -45.77 88.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.12 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 53' ' ' SER . 97.4 t -66.85 -40.95 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.798 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.87 -37.11 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.148 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.66 -39.56 84.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.513 . . . . 0.0 109.939 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.88 -46.43 89.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.15 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.88 79.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -60.24 -57.23 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.922 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.07 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 111.246 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.33 -62.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.585 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -66.38 -32.38 73.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.838 -173.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.57 -34.75 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.539 0.209 . . . . 0.0 110.437 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 69.4 m -64.67 -38.52 91.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.18 -42.06 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.925 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 63.6 mttp -62.48 -44.3 96.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.112 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.736 179.572 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -57.59 -39.41 76.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.826 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -55.27 -38.96 69.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.748 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.492 HE22 HD22 ' A' ' 15' ' ' LEU . 17.7 tm0? -67.85 -57.35 6.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.17 -44.68 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.114 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.22 -47.51 84.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -70.66 -34.58 72.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.489 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 19' ' ' ILE . 45.5 tp -60.88 -53.25 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.087 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.09 -46.13 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.32 -46.21 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.67 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -69.63 -30.86 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -61.86 -45.15 99.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.69 0.757 . . . . 0.0 109.015 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.72 -35.77 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.623 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.6 t -57.85 -41.12 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 177.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.26 -54.21 38.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.617 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.11 -44.65 79.29 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.763 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -72.29 -32.38 66.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.255 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.34 -32.65 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -87.9 -0.05 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.133 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt 44.14 49.26 7.63 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.333 1.021 . . . . 0.0 111.098 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.28 132.42 86.07 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.724 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HD2' HD23 ' A' ' 32' ' ' LEU . 46.9 Cg_exo -57.23 162.05 10.25 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.442 2.095 . . . . 0.0 111.157 173.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -54.95 -45.03 74.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.94 0.4 . . . . 0.0 111.202 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.55 -32.81 70.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.465 -178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 47.6 tp -73.9 -39.89 63.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.686 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -60.31 -45.48 93.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.187 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.03 -37.58 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.904 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 tpp -61.23 -60.18 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.69 80.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 0.0 111.258 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' B' ' 41' ' ' VAL . 11.2 tp -66.19 -47.94 72.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.321 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.61 95.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 14.1 m120 -58.69 -50.55 73.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 174.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.29 -47.9 83.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.1 t -56.59 -50.55 73.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.536 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.454 ' OG1' HD22 ' B' ' 65' ' ' LEU . 3.1 m -78.86 -28.68 44.25 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' HD21 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -70.94 -23.48 62.25 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.162 0.505 . . . . 0.0 110.637 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 43.8 mt -75.83 -32.81 59.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.882 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.51 -36.08 73.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.011 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' ' HG3' ' A' ' 47' ' ' ARG . 35.7 mt-10 -59.77 -57.64 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.771 0.796 . . . . 0.0 111.735 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.57 ' HG3' ' HB2' ' A' ' 46' ' ' GLU . 11.8 mtt-85 -105.64 -3.03 22.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.22 -160.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 40.8 mmtm -111.06 -24.57 10.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.021 0.438 . . . . 0.0 110.514 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.48 135.29 24.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.568 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 34.8 Cg_exo -61.55 150.33 85.83 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.498 2.132 . . . . 0.0 112.124 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -46.67 -42.44 16.46 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.55 -43.23 81.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.4 t -82.29 -14.85 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.3 mtt180 -55.01 -48.14 73.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.793 0.33 . . . . 0.0 110.684 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 29.5 tt0 -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.797 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.09 74.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.06 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.37 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.44 69.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 29.5 mt-10 -68.33 -44.63 74.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.392 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.56 -37.22 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 111.102 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.13 -46.39 77.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.219 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 62' ' ' ALA . . . -61.11 -40.46 93.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 94.8 mttt -64.35 -47.95 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.93 -35.89 77.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 41' ' ' VAL . 10.6 tp -62.47 -54.45 39.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.12 82.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.092 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -66.42 -36.18 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.987 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.6 m -62.19 -36.79 82.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.337 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.57 -48.61 71.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.263 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.029 178.537 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -57.0 -39.33 74.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.022 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -70.16 -31.95 69.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.315 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.27 -52.01 45.96 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 37.4 t -56.68 -44.15 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.267 0.556 . . . . 0.0 110.17 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.48 -41.75 99.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.701 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t -66.25 -38.6 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' B' ' 19' ' ' ILE . 7.2 mp -60.02 -58.03 10.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.579 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -50.77 -45.59 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 123.568 0.543 . . . . 0.0 111.335 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.38 -47.18 87.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.815 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.94 -33.68 64.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.314 . . . . 0.0 111.252 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.582 HG23 HG23 ' A' ' 19' ' ' ILE . 60.4 mt -64.82 -36.1 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 43' ' ' HIS . 77.9 mt -65.4 -34.82 79.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.622 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 17' ' ' ALA . 83.4 t -57.66 -43.26 83.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.315 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -49.14 68.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.345 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 95.2 mt -51.72 -45.24 63.53 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.47 174.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.75 -30.73 61.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -57.83 -44.59 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.7 -0.63 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 2.3 ttpm? 48.5 70.36 0.46 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.897 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.44 123.2 57.31 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.219 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.42 173.02 5.76 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.793 2.329 . . . . 0.0 111.044 172.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -56.1 -45.02 79.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.99 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -43.43 85.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 tp -79.86 -37.15 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.127 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 12.2 p -69.49 -43.05 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.2 -37.67 86.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.652 0.263 . . . . 0.0 110.506 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -61.82 -47.22 86.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.423 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -57.73 11.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 41' ' ' VAL . 66.0 mt -56.02 -41.47 74.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.667 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.24 87.59 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -73.79 -31.2 63.17 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.784 -0.245 . . . . 0.0 110.476 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -62.3 -50.31 72.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.695 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.3 t -58.34 -49.04 83.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -70.27 -33.02 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.047 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' B' ' 47' ' ' ARG . 52.1 t60 -71.17 -31.04 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.14 -37.88 78.51 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.223 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.421 ' HB3' ' HD3' ' B' ' 54' ' ' ARG . 82.4 mt -59.58 -55.17 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.727 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.33 -6.43 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.762 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 43' ' ' HIS . 1.4 tmt_? -95.99 -61.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.445 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -104.91 -24.1 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 40.8 t -91.65 131.14 36.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.546 0.212 . . . . 0.0 111.03 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 49' ' ' VAL . 17.1 Cg_exo -68.11 139.68 47.29 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.77 2.314 . . . . 0.0 112.05 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.692 ' HA ' ' HB2' ' B' ' 54' ' ' ARG . 14.9 m -39.72 -39.05 0.71 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.23 -37.65 88.22 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.1 -0.375 . . . . 0.0 111.729 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 57' ' ' VAL . 7.0 t -96.53 -13.36 23.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HB2' ' HA ' ' B' ' 51' ' ' SER . 12.7 tpp85 -43.23 -64.19 0.68 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.13 0.972 . . . . 0.0 111.41 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.25 -30.17 62.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.941 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -37.46 82.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 53' ' ' SER . 75.1 t -68.7 -41.79 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.85 73.52 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.913 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -65.26 -46.16 81.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.215 179.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.26 -35.58 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' B' ' 65' ' ' LEU . 57.9 t80 -60.11 -45.84 91.62 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.47 0.653 . . . . 0.0 109.655 176.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -60.39 -37.53 81.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.118 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 67' ' ' GLN . 65.2 mttm -56.5 -48.72 76.58 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.08 78.38 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.461 HD11 ' CE2' ' B' ' 61' ' ' PHE . 0.6 OUTLIER -69.84 -43.85 71.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.068 -177.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.79 88.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.615 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 26.4 mt-30 -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.279 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -68.22 -40.98 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.055 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.44 -42.19 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.32 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -69.39 -33.63 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.155 0.502 . . . . 0.0 110.812 177.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -61.15 -38.55 86.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.189 0.305 . . . . 0.0 111.087 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -60.92 -32.35 71.85 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -77.38 -34.29 54.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.169 0.509 . . . . 0.0 109.706 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 16' ' ' ILE . 59.2 t -69.66 -43.78 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.863 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.06 -50.48 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 p -63.71 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.282 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' B' ' 26' ' ' HIS . 3.6 mp -70.1 -48.96 55.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.709 175.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 12' ' ' VAL . 85.0 mt -54.8 -40.29 51.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.107 177.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.36 -52.02 64.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.008 176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -56.07 -45.6 79.25 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.885 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' B' ' 19' ' ' ILE . 39.1 mt -64.2 -45.3 96.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.851 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.58 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.612 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 49.5 t -58.69 -41.96 83.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' B' ' 22' ' ' VAL . 93.3 t -58.94 -48.71 85.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 120.866 0.365 . . . . 0.0 110.588 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD11 HD21 ' A' ' 37' ' ' LEU . 92.5 mt -58.54 -34.45 71.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.365 175.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -71.26 -45.64 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 29.9 mtpp -56.06 -45.24 79.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.426 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.83 -4.37 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 pttm 36.01 72.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.277 0.986 . . . . 0.0 112.08 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.96 75.72 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.732 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.99 163.46 25.41 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.566 2.177 . . . . 0.0 111.51 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.6 m -53.99 -46.28 71.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 35' ' ' MET . 6.0 m-20 -58.17 -54.53 45.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 110.368 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 tp -62.65 -33.33 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB3' HD13 ' B' ' 44' ' ' LEU . 44.9 m -61.15 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.606 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.346 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 90.4 mmm -62.61 -45.86 90.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.96 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.14 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -59.82 -36.86 77.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.524 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.13 78.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.499 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -73.99 -17.79 60.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.631 0.253 . . . . 0.0 111.127 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' B' ' 16' ' ' ILE . 92.8 m -66.43 -46.33 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.73 -45.7 90.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -40.11 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.101 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.42 -34.01 73.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.662 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 98.4 mt -64.96 -48.06 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 82.0 mt -55.3 -48.59 73.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.617 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.21 -62.33 1.96 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.334 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 14.4 mmt180 -105.21 6.54 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -167.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 14.5 mptt -117.86 -24.33 7.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 172.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.5 t -113.75 135.84 22.01 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.391 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.4 Cg_endo -55.02 151.3 34.63 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.873 2.382 . . . . 0.0 112.43 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -50.61 -54.14 25.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.5 -29.5 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 0.0 111.281 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -80.72 -24.58 38.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 93.9 mtt180 -54.87 -44.74 74.31 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.04 -47.72 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.35 80.93 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.512 -176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.85 -36.64 70.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.675 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -48.37 81.6 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.571 0.224 . . . . 0.0 110.46 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.58 -53.71 35.29 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.876 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.76 -51.52 58.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.435 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -60.97 -44.25 97.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.241 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.85 94.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.05 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.26 -24.4 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.528 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.03 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.937 0.399 . . . . 0.0 110.065 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.6 tp -62.33 -51.16 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.69 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.868 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.91 -48.8 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.157 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 m -63.86 -40.49 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.1 t -68.8 -31.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 70' ' ' LYS . 4.7 ttmp? . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -58.26 -33.18 69.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.885 0.374 . . . . 0.0 110.08 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -61.3 -48.03 83.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.089 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -60.84 -49.84 75.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.135 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.408 ' O ' HG13 ' B' ' 16' ' ' ILE . 46.4 t -61.71 -49.14 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.85 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.645 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.8 m -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.768 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 19' ' ' ILE . 40.6 tp -65.36 -45.52 83.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 110.281 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 40' ' ' CYS . 82.4 mt -56.32 -42.65 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.942 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.81 -41.3 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' B' ' 14' ' ' SER . 13.2 mm-40 -53.64 -48.48 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.43 0.633 . . . . 0.0 110.402 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -68.2 -44.08 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.891 -177.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.1 mt -61.12 -40.0 92.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.658 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.1 t -58.99 -41.37 83.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' A' ' 22' ' ' VAL . 70.2 t -54.94 -51.99 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.721 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.777 HD11 HD23 ' B' ' 37' ' ' LEU . 98.7 mt -61.55 -55.09 34.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.048 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.04 -23.13 61.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.06 -48.13 82.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 15' ' ' LEU . 9.1 p80 -96.19 4.62 52.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.417 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 78.7 tttt 67.09 44.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.404 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' NE2' ' B' ' 26' ' ' HIS . . . -53.08 114.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 171.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.09 159.74 33.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -51.58 -42.45 61.91 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.451 0.469 . . . . 0.0 112.207 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -36.31 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.205 0.526 . . . . 0.0 110.646 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 tp -84.07 -34.38 24.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.926 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 23.7 p -68.76 -47.15 66.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 0.0 110.608 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.7 -39.73 94.93 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.491 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.4 tpp -60.11 -52.14 66.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.99 -49.06 76.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.777 HD23 HD11 ' B' ' 23' ' ' LEU . 0.2 OUTLIER -62.29 -44.77 95.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -177.458 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -45.04 93.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.363 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -68.55 -32.71 72.83 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.954 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 75.0 m -67.2 -47.7 70.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.478 0.18 . . . . 0.0 110.936 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 37' ' ' LEU . 91.1 t -57.14 -45.03 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.561 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -69.45 -37.74 77.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.549 ' HA ' ' OE2' ' B' ' 46' ' ' GLU . 41.5 t60 -64.82 -32.51 74.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.196 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 33' ' ' SER . 94.5 mt -67.2 -38.38 85.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.101 0.477 . . . . 0.0 110.002 177.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.86 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 87.2 mt -64.89 -28.78 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.11 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 43' ' ' HIS . 45.2 mt-10 -65.16 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 111.946 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -89.26 -23.19 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -167.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -96.8 -23.29 16.46 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.789 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -120.43 130.03 25.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.887 0.375 . . . . 0.0 111.033 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.32 143.56 99.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 111.382 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 m -47.69 -38.65 15.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' B' ' 53' ' ' SER . 1.5 pm0 -66.75 -52.81 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 111.157 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.481 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 36.5 m -70.93 -26.65 63.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.113 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.86 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 39.9 ttm180 -53.66 -48.48 69.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -77.53 -29.58 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.86 79.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' SER . 92.4 t -63.88 -34.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.325 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.3 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.71 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 61.5 mm-40 -59.9 -47.6 85.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.83 -39.94 90.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.912 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.89 -44.69 96.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.448 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.55 79.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.003 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 70.3 mmtt -64.51 -49.82 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.072 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.53 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.467 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.38 -44.85 93.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.712 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.63 -42.32 98.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.67 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 7.3 p -65.55 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.38 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -75.78 -47.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 110.739 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.714 -171.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.75 -178.017 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.593 0.235 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -56.91 -56.32 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.098 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 15' ' ' LEU . 33.5 tt0 -65.24 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.331 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 HD11 ' B' ' 32' ' ' LEU . 60.9 t -63.22 -38.82 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.287 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.086 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -68.67 -33.79 74.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.616 0.246 . . . . 0.0 110.873 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 19' ' ' ILE . 8.9 mp -63.03 -51.84 65.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' B' ' 36' ' ' ALA . 74.5 mt -57.43 -46.29 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.33 -36.94 83.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.347 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -67.23 -39.49 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.69 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -60.73 -42.48 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.612 0.72 . . . . 0.0 109.688 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.82 -35.57 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.793 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.5 t -64.94 -34.73 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.679 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.547 ' CG2' HG21 ' B' ' 22' ' ' VAL . 49.1 t -57.76 -54.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 0.0 109.853 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD11 HD21 ' A' ' 37' ' ' LEU . 92.2 mt -56.07 -51.93 66.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.861 175.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.11 -31.39 72.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.1 -29.17 70.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.87 -1.19 38.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.209 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 35.0 tptt 55.85 42.93 28.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.178 -176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -65.85 122.74 82.36 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.225 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.2 Cg_exo -65.27 170.58 10.49 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.666 2.244 . . . . 0.0 111.518 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -54.04 -44.65 71.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.326 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.85 -47.11 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.549 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.83 -37.42 79.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.403 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 m -63.75 -54.25 38.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.804 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.15 -35.51 79.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.091 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.5 ttm -63.34 -53.96 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.36 79.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.662 HD21 HD11 ' A' ' 23' ' ' LEU . 3.9 mm? -61.64 -44.95 96.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.02 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -45.67 95.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.411 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -66.83 -36.14 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.158 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.0 t -62.78 -49.34 75.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 93.3 t -56.89 -42.33 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 110.623 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -65.78 -39.4 90.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.685 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.71 -24.11 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' B' ' 37' ' ' LEU . 95.4 mt -66.56 -32.8 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 0.0 109.921 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.44 -28.34 66.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.201 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.56 -5.76 51.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.292 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 25.8 ttt180 -87.04 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.197 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.807 ' HG2' ' HG2' ' A' ' 47' ' ' ARG . 32.7 mmmt -130.67 25.59 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -114.91 128.01 26.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.664 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.642 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -57.29 148.98 67.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.961 2.441 . . . . 0.0 112.037 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -53.58 -47.96 69.63 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.51 ' OE1' ' HB2' ' A' ' 50' ' ' PRO . 1.3 pm0 -72.04 -34.45 68.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.7 t -72.65 -28.49 62.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.257 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 99.3 mtt180 -53.35 -43.23 67.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.04 0.447 . . . . 0.0 110.562 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.46 -33.69 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -79.08 -33.91 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.647 0.261 . . . . 0.0 111.214 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' SER . 98.6 t -66.47 -37.93 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.958 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 17.3 tt0 -62.71 -53.73 49.99 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.931 174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 77.0 mm-40 -56.67 -42.46 79.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.15 -39.61 82.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.323 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.08 75.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.85 -43.84 94.94 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.54 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.87 92.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.81 -50.42 72.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.287 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.77 92.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.489 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -65.04 -38.67 91.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.349 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.469 . . . . 0.0 110.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.35 -48.38 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.007 -176.029 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -62.17 -40.32 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.198 0.523 . . . . 0.0 109.642 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.0 m -62.95 -33.84 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.718 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.99 -49.06 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 16' ' ' ILE . 43.5 t -69.33 -46.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.51 -45.79 91.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.835 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -68.59 -29.79 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.886 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.629 ' O ' HG13 ' B' ' 19' ' ' ILE . 57.5 tp -63.03 -50.39 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 12' ' ' VAL . 65.8 mt -58.5 -43.32 86.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.211 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.45 -41.83 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.448 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.629 HG13 ' O ' ' B' ' 15' ' ' LEU . 27.7 mt -61.48 -40.16 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 109.839 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.417 HD23 HD12 ' B' ' 23' ' ' LEU . 96.0 mt -65.15 -34.73 79.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.705 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 17' ' ' ALA . 85.3 t -62.85 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.232 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.547 HG21 ' CG2' ' A' ' 22' ' ' VAL . 86.1 t -60.07 -45.57 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.969 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 94.3 mt -50.04 -42.67 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.674 172.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.09 -15.25 51.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' B' ' 21' ' ' VAL . 29.9 mmmt -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 0.0 110.12 175.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -98.65 -15.85 19.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.44 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.76 77.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.725 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.12 124.6 40.94 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.376 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.03 169.27 10.77 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.461 2.107 . . . . 0.0 111.338 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 48' ' ' LYS . 19.9 m -51.03 -45.14 61.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 35' ' ' MET . 10.5 m-20 -58.18 -53.7 55.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.572 HD11 HG22 ' A' ' 12' ' ' VAL . 32.3 tp -68.33 -32.57 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.509 -176.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -46.78 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.141 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 30' ' ' THR . 95.7 mt -61.93 -35.99 80.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.62 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' B' ' 31' ' ' ASP . 87.6 mtp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -69.54 -57.72 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 44' ' ' LEU . 4.5 mm? -52.2 -43.63 64.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.138 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.21 91.91 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.51 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.28 -33.57 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.505 0.193 . . . . 0.0 110.782 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 83.9 m -61.6 -52.71 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.414 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.41 -44.7 89.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 21.3 m -61.52 -46.57 89.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.908 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -69.08 -27.82 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 87.6 mt -65.34 -49.87 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.481 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 83.5 mt -63.17 -37.51 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.704 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.38 -45.71 86.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.459 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -88.35 -42.82 11.95 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.544 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -88.65 -19.05 26.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 39.2 t -119.39 134.85 23.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.714 0.292 . . . . 0.0 111.324 -173.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 51.9 Cg_exo -57.06 153.07 40.61 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.427 176.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 27.3 t -48.61 -56.87 7.25 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.07 -39.72 93.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.578 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.437 ' HB2' HG12 ' B' ' 49' ' ' VAL . 5.5 m -70.11 -29.32 66.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.066 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.6 mtt180 -53.72 -50.36 66.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 177.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.58 -35.62 79.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.308 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.96 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 0.0 110.645 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.94 -40.12 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.31 89.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.692 0.282 . . . . 0.0 110.921 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 9.1 mm-40 -55.6 -56.02 25.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.032 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.45 -42.76 99.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.286 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.15 -47.28 85.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.61 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 42.8 mttm -70.78 -40.87 72.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.264 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.22 86.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 69' ' ' VAL . 17.8 tp -58.79 -55.2 38.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.123 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.88 -44.18 97.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.054 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -62.8 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 65' ' ' LEU . 72.1 t -61.46 -47.1 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 0.0 110.579 177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.988 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -178.697 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 11' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -65.69 -45.48 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.255 0.55 . . . . 0.0 109.736 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 p -71.45 -30.49 66.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.365 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 5.8 tp-100 -58.67 -47.34 84.81 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG22 HD11 ' B' ' 32' ' ' LEU . 35.2 t -68.72 -45.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.26 -55.28 36.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.688 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.6 p -62.44 -33.99 75.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 110.777 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' B' ' 23' ' ' LEU . 57.8 tp -59.96 -56.4 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.206 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' ILE . 75.6 mt -62.12 -38.3 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.684 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -47.27 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.223 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.53 -37.49 87.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 110.883 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' B' ' 19' ' ' ILE . 50.4 mt -59.2 -46.24 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.106 0.479 . . . . 0.0 110.083 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.86 -42.66 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.601 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.484 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 56.5 t -63.11 -38.21 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' B' ' 22' ' ' VAL . 55.1 t -66.1 -45.2 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.538 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 37' ' ' LEU . 94.8 mt -49.05 -53.31 20.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.648 171.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 11.4 pt-20 -76.67 -22.27 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 59.7 tttm -72.94 -28.65 62.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.019 0.438 . . . . 0.0 110.024 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.63 -2.44 44.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 59.02 70.67 0.63 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.738 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -94.31 120.05 65.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.05 178.23 2.02 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.67 2.247 . . . . 0.0 111.32 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -63.16 -38.66 92.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.118 0.485 . . . . 0.0 110.233 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.88 -48.88 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.574 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' B' ' 12' ' ' VAL . 36.6 tp -75.71 -38.5 58.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.87 -172.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -64.5 -48.07 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.547 0.213 . . . . 0.0 110.987 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.75 -43.64 94.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.117 0.484 . . . . 0.0 110.442 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 ttm -66.44 -43.89 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.339 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.81 22.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.018 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 23' ' ' LEU . 4.6 mm? -55.9 -43.98 77.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.55 -46.5 81.13 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.948 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.76 -30.19 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.16 -24.05 61.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.948 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -72.87 -50.42 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 177.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 p -66.47 -31.44 72.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.231 0.539 . . . . 0.0 110.16 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -54.0 -32.11 53.11 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.26 174.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 32.0 mt -87.11 -38.72 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.018 0.437 . . . . 0.0 110.538 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 72.8 mt -60.4 -46.24 90.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.701 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 29.4 mt-10 -87.25 2.29 50.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.996 -177.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -94.24 -51.56 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.619 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -114.34 -28.66 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -89.56 127.85 53.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.663 0.268 . . . . 0.0 111.311 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.52 149.0 92.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.503 2.135 . . . . 0.0 111.404 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -53.6 -36.73 62.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.7 -52.09 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.776 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.3 m -77.65 -20.54 53.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.733 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 37.4 ttm180 -56.25 -38.88 71.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.33 -37.16 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.731 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.42 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 53' ' ' SER . 99.5 t -61.4 -39.61 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 178.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.26 93.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.917 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.08 -44.25 97.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.774 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.18 -31.84 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.696 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.93 -44.23 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.5 88.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.735 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -61.6 -40.7 95.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.483 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.53 94.64 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.387 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD22 ' OG1' ' B' ' 42' ' ' THR . 4.7 mt -65.14 -46.93 78.93 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.94 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.206 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.22 -44.19 97.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.551 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.661 ' HB3' HG21 ' B' ' 42' ' ' THR . 23.1 t -70.54 -47.71 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 55' ' ' GLN . 78.6 t -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.42 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.725 -178.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -62.92 -25.55 68.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -35.67 81.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.001 0.429 . . . . 0.0 110.311 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -70.97 -42.19 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.683 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 16' ' ' ILE . 40.0 t -60.67 -49.42 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.959 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.36 -39.11 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -57.88 -42.66 85.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.817 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.731 ' O ' HG12 ' B' ' 19' ' ' ILE . 9.4 mp -73.63 -41.12 63.19 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.3 mt -53.58 -46.29 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 110.427 177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -66.15 -35.38 80.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.256 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.83 -44.64 63.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.858 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' A' ' 19' ' ' ILE . 7.2 mm -63.99 -34.32 67.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -49.29 74.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.463 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.638 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 93.0 t -56.01 -47.7 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.497 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.5 t -51.17 -60.52 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 O-C-N 123.38 0.425 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 15' ' ' LEU . 92.2 mt -51.84 -50.81 60.15 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.234 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -86.74 -0.64 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -170.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 47.2 mtmt -69.57 -43.82 72.1 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 167.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.608 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 8.3 mtmp? 65.72 41.23 4.03 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.135 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 134.5 95.9 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.04 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.2 169.12 12.73 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.585 2.19 . . . . 0.0 111.457 177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -56.68 -38.61 72.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -54.71 43.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.345 0.593 . . . . 0.0 110.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.62 HD11 HG22 ' A' ' 12' ' ' VAL . 39.6 tp -68.32 -31.15 70.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.078 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.438 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.0 m -61.0 -49.46 77.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.537 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.05 -38.39 88.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.451 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -60.93 -47.59 85.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.713 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.41 76.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 HD11 ' B' ' 23' ' ' LEU . 4.2 mm? -58.74 -48.95 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.93 -49.57 70.31 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.754 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -71.19 -32.34 68.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.768 -0.254 . . . . 0.0 111.201 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.47 -51.62 54.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.692 0.282 . . . . 0.0 110.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 37' ' ' LEU . 87.8 t -59.75 -44.09 93.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.042 0.449 . . . . 0.0 111.02 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 68' ' ' SER . 6.2 m -73.66 -21.16 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.733 -176.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -74.31 -28.93 61.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.34 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.78 -34.04 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.621 . . . . 0.0 109.433 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.557 HD23 HG21 ' B' ' 49' ' ' VAL . 87.8 mt -63.3 -32.74 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.736 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.22 -61.27 2.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -87.36 -31.02 20.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 19.7 tptm -103.54 -39.96 6.52 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.819 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.557 HG21 HD23 ' B' ' 45' ' ' LEU . 91.2 t -85.09 134.52 40.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.94 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 81.5 Cg_exo -49.15 141.96 22.11 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.142 2.562 . . . . 0.0 112.642 176.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -49.92 -52.09 35.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.598 -174.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.61 -35.92 75.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 0.0 111.116 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -70.71 -21.72 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.965 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 96.4 mtt180 -48.43 -45.34 36.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.427 ' HA ' HG11 ' A' ' 69' ' ' VAL . 52.2 mt-30 -59.29 -52.87 63.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 111.459 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.91 -32.42 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.08 -46.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.007 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.01 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.025 0.441 . . . . 0.0 110.373 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.601 ' HG2' ' HZ2' ' B' ' 63' ' ' LYS . 33.4 tt0 -63.1 -40.51 97.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.34 -38.93 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 110.429 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.74 -43.46 97.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.961 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.19 82.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.601 ' HZ2' ' HG2' ' B' ' 59' ' ' GLU . 58.1 mttp -62.64 -47.81 82.09 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.25 90.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.082 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 41' ' ' VAL . 19.5 tp -63.72 -50.41 69.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.145 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.77 79.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.711 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.97 -41.2 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.816 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.7 m -64.91 -36.22 83.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.74 -43.97 76.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.51 0.672 . . . . 0.0 110.277 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' B' ' 70' ' ' LYS . 8.6 ttmm -73.4 -16.43 61.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.736 -176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.743 179.806 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.742 0.306 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.88 105.99 14.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.409 . . . . 0.0 110.726 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.2 mt -118.65 98.68 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.381 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 5.5 pm0 -79.66 120.66 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.241 0.543 . . . . 0.0 109.633 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -124.28 133.89 53.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.313 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -66.24 -44.73 82.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.831 0.824 . . . . 0.0 108.836 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -94.5 87.76 5.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.113 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 m -66.97 163.41 19.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.189 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -60.6 -30.81 70.06 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.42 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -63.51 -43.26 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.36 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -62.34 -51.41 67.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.156 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 8' ' ' SER . 28.0 t -59.67 -50.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.8 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.99 -39.12 91.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.781 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -69.38 -34.06 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.836 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.3 -45.07 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.4 mt -61.9 -44.42 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.75 -31.9 72.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -75.16 -40.64 59.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.763 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.3 pt -71.09 -26.09 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.283 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -66.6 -38.47 87.07 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 171.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.6 t -60.82 -38.52 79.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.091 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' B' ' 22' ' ' VAL . 97.4 t -61.21 -48.02 90.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 37' ' ' LEU . 98.8 mt -58.45 -49.37 77.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.396 176.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' LYS . 38.0 tt0 -71.01 -21.83 62.23 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.422 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -53.69 -35.34 61.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.339 0.59 . . . . 0.0 110.33 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 4.6 p80 -115.98 6.77 14.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.064 175.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 24' ' ' GLU . 14.3 ptmm? 35.42 49.63 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.489 1.118 . . . . 0.0 112.307 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.446 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.37 159.95 47.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 111.503 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.08 -46.6 72.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.726 -178.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -53.27 -50.68 64.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.438 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 44.5 tp -71.33 -34.65 70.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.862 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -65.86 -43.33 88.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.587 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.2 mt -60.72 -37.18 80.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.85 0.357 . . . . 0.0 110.223 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.54 -50.76 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.29 72.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -62.71 -43.62 98.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.3 -44.29 96.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -69.1 -30.43 68.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.776 -0.249 . . . . 0.0 110.789 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 50.2 t -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.648 0.261 . . . . 0.0 110.732 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.1 t -64.72 -52.12 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.937 175.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -63.33 -31.94 73.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.231 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.514 ' CE1' HD22 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -54.51 -42.35 70.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.031 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 25.6 mt -73.75 -32.89 64.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.675 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 97.2 mt -64.7 -51.9 60.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.323 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -71.04 -12.19 61.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.82 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -99.63 -59.9 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.352 -176.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -95.1 -38.99 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -172.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 19.5 t -91.25 118.53 68.54 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.927 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -59.26 154.0 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 111.606 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 m -54.08 -40.57 67.33 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -37.77 77.82 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.585 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 m -80.57 -25.18 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.846 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.653 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 34.2 ttm180 -57.63 -35.58 70.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.131 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -70.1 -49.74 47.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.65 92.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.467 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 60' ' ' GLN . 88.0 t -63.45 -39.59 85.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.81 -42.15 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 4.0 pt20 -71.87 -33.57 68.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.536 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -62.98 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.32 71.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.16 -40.03 94.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.559 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.62 64.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.42 -47.73 84.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.75 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.856 -177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -79.27 -18.17 53.26 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.0 m -69.85 -41.05 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 61.8 t -69.49 -38.32 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.893 174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.3 ttmt -71.88 -10.12 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.619 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -83.39 -42.32 17.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -77.65 -13.85 59.79 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.487 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 70' ' ' LYS . 93.6 mt -64.11 -59.05 4.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 68.18 -68.1 0.18 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.121 0.888 . . . . 0.0 112.242 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.2 p80 37.46 72.75 0.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.107 0.963 . . . . 0.0 112.486 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 72.57 -4.08 2.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.872 174.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 58.64 29.87 19.12 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -136.61 -86.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.54 . . . . 0.0 110.408 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 t60 177.0 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t60 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.294 172.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.018 0.437 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.71 75.29 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.799 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 tp -136.65 136.55 48.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.676 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -128.23 119.32 24.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -85.47 118.34 24.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -67.21 -40.25 86.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -146.14 171.74 14.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.34 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 34.3 t -86.29 125.45 33.61 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.94 -49.75 72.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 59.8 m -65.5 -32.55 74.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.514 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 7.1 tp-100 -61.54 -56.3 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.264 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 48.0 t -61.05 -43.85 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.03 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.915 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.3 m -64.95 -35.32 80.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 26' ' ' HIS . 6.7 mp -61.41 -55.41 31.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -56.51 -48.11 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.152 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.614 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.99 -44.82 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.726 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -42.31 94.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.362 . . . . 0.0 110.759 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 15' ' ' LEU . 8.5 mt -67.65 -36.25 75.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.212 0.53 . . . . 0.0 110.04 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 38.6 mt -65.52 -37.83 87.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.133 177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.9 t -62.67 -35.97 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.613 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 22' ' ' VAL . 61.0 t -61.19 -46.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.257 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.23 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.03 -52.17 45.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' B' ' 21' ' ' VAL . 89.1 mttt -53.15 -48.45 67.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.007 -177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.68 -16.91 52.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.984 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? 53.83 73.33 0.39 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.827 0.704 . . . . 0.0 109.934 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.75 131.05 53.18 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.127 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.96 159.37 46.61 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.453 2.102 . . . . 0.0 111.037 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m -54.78 -40.99 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.02 -45.51 92.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.01 0.434 . . . . 0.0 110.746 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 12' ' ' VAL . 36.8 tp -69.08 -42.47 76.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.98 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' HD23 ' B' ' 37' ' ' LEU . 13.2 p -63.86 -42.58 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.163 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.82 -38.88 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.1 ttm -63.77 -46.78 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.957 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 41' ' ' VAL . 3.3 mm? -60.01 -49.12 78.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.29 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -47.31 90.4 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.716 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.51 -32.73 72.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.833 -0.216 . . . . 0.0 111.042 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 41.9 t -65.38 -47.41 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.542 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 37' ' ' LEU . 94.3 t -60.0 -42.81 90.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.472 . . . . 0.0 110.433 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.0 m -68.11 -38.07 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.057 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.14 -27.5 68.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 92.1 mt -68.46 -40.09 81.17 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.312 0.577 . . . . 0.0 109.654 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.573 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.5 mt -65.84 -40.31 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.522 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.65 -10.97 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.714 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -99.42 -67.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.448 . . . . 0.0 111.898 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 8.3 mmpt? -109.81 4.62 21.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -168.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.71 105.52 32.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.174 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.66 149.32 59.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 111.25 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -54.41 -33.47 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.31 0.244 . . . . 0.0 111.547 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.78 -48.86 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.779 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . 2.5 m -85.44 -29.02 24.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.484 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 30.3 ttm180 -56.31 -37.38 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.36 -176.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -59.58 -44.55 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.747 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.6 -36.86 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' SER . 90.5 t -64.16 -40.02 87.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 0.0 110.389 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.91 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.417 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.6 tm-20 -69.02 -39.84 79.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -60.21 -42.27 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.277 0.561 . . . . 0.0 109.778 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.68 -45.08 88.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.211 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.0 90.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 62.9 mttp -57.91 -59.8 4.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.93 81.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.846 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.84 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -175.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.37 92.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.641 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.06 -30.18 70.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.523 0.202 . . . . 0.0 111.085 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.3 m -66.25 -41.0 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.168 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.53 -49.64 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.088 0.47 . . . . 0.0 110.543 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -25.38 68.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.621 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.2 t -65.07 -19.5 66.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.054 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -94.4 -29.23 15.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.073 0.463 . . . . 0.0 110.537 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.46 -46.89 15.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.707 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.71 87.13 7.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.378 0.608 . . . . 0.0 111.254 -173.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -132.55 31.44 4.01 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -131.08 42.26 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.841 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -77.27 76.25 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.74 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -163.69 88.38 0.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.849 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -118.08 -0.53 11.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.239 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.184 176.33 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.587 0.232 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.92 -43.42 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.869 -0.15 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -62.77 152.05 7.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.578 0.227 . . . . 0.0 110.814 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -51.63 122.68 8.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.525 0.679 . . . . 0.0 111.775 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -104.79 12.06 33.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.427 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -81.53 103.68 11.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.754 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 75.22 -178.16 0.16 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.224 0.952 . . . . 0.0 111.268 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 12' ' ' VAL . 47.9 t -164.43 141.0 6.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.575 174.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.25 -45.28 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.706 0.289 . . . . 0.0 110.494 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -62.81 -44.75 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.406 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -55.77 -58.28 8.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.2 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 8' ' ' SER . 61.6 t -61.05 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.74 -44.07 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -64.08 -37.92 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.734 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 19' ' ' ILE . 7.2 mp -63.37 -56.39 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.556 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.7 mt -51.59 -47.29 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 O-C-N 123.487 0.492 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.02 -50.18 74.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.218 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.41 -36.21 83.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.442 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.748 HG12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -59.47 -46.35 92.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.588 0.709 . . . . 0.0 109.43 176.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.95 -35.48 76.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.081 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.3 t -60.89 -37.74 77.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.328 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' B' ' 22' ' ' VAL . 79.5 t -61.61 -51.32 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.764 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -52.34 -51.86 56.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.642 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -72.57 -24.36 61.1 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 25.2 ttmm -64.84 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 109.902 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.9 -5.51 59.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.885 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm 58.82 44.15 17.3 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.179 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 124.65 91.04 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.197 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 162.66 13.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.469 2.112 . . . . 0.0 111.143 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.432 ' OG1' ' HE3' ' B' ' 48' ' ' LYS . 8.8 m -55.34 -39.68 70.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.132 0.492 . . . . 0.0 110.477 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 35' ' ' MET . 24.4 t70 -55.41 -49.52 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.678 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 59.2 tp -74.54 -40.99 61.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.741 -176.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 8.3 p -64.83 -39.4 93.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.881 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.583 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 65.1 mtt -59.8 -55.08 38.75 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.272 173.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.24 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.461 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.515 HD21 HD11 ' A' ' 23' ' ' LEU . 54.5 mt -66.74 -41.42 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.583 0.23 . . . . 0.0 110.741 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' CZ ' ' B' ' 61' ' ' PHE . . . -58.44 -48.41 84.2 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.21 -36.79 83.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 53.0 t -59.35 -55.91 28.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.54 -43.38 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 m -71.25 -29.37 65.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.933 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.04 -40.52 91.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.011 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 95.3 mt -61.33 -37.58 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 109.942 176.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 42' ' ' THR . 37.2 mt -60.46 -55.52 32.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.762 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 2.8 pp20? -77.34 -5.39 49.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.851 0.358 . . . . 0.0 111.838 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -90.47 -52.82 4.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.16 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 12.2 tmtt? -98.16 -38.29 9.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.329 -173.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -94.93 129.03 37.0 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 111.443 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.22 150.75 64.25 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.143 2.562 . . . . 0.0 111.904 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.3 m -47.9 -43.16 28.58 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -60.36 -59.15 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.049 0.452 . . . . 0.0 110.885 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 m -75.08 -15.42 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.865 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.657 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 39.6 ttm180 -57.28 -40.15 77.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.133 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 27.1 mt-30 -71.91 -45.77 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -55.42 -50.46 69.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.446 -178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.83 -39.31 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . . . -58.93 -46.18 88.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 69.6 mt-10 -61.21 -50.48 72.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.225 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.3 mt-30 -55.39 -47.37 75.97 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.05 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.38 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.363 . . . . 0.0 111.177 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.15 -44.36 79.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.46 94.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 tp -59.22 -54.94 41.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.103 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.11 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.219 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.95 -37.7 88.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 m -67.41 -35.8 80.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.536 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.6 -40.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -65.02 -45.37 85.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.697 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -63.93 -20.0 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -77.53 -23.09 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.958 0.408 . . . . 0.0 110.903 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.06 -63.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.192 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -110.19 115.82 30.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -81.43 -178.38 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.468 0.651 . . . . 0.0 112.353 -170.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -140.86 126.71 19.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.212 174.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -118.45 121.3 39.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.023 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -54.8 -51.22 66.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 172.04 -49.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.367 1.042 . . . . 0.0 109.147 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.068 -0.967 . . . . 0.0 109.586 179.061 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.803 0.335 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.94 99.33 2.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 tt -141.22 110.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.419 0.628 . . . . 0.0 110.083 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.475 ' H ' ' CD ' ' B' ' 4' ' ' GLN . 0.1 OUTLIER -91.14 -2.42 57.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.979 -179.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 59.48 54.86 4.4 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.195 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -75.63 89.16 2.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 5.9 m-85 59.02 -149.02 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.9 t -165.92 150.4 8.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -58.49 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 109.907 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.9 m -74.95 -39.82 61.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.214 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.41 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 22.1 tp60 -60.26 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.298 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.489 ' O ' HG13 ' B' ' 16' ' ' ILE . 48.9 t -67.01 -46.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.654 -178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.82 -42.28 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.752 0.31 . . . . 0.0 110.98 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.1 t -65.16 -34.9 79.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.384 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.558 ' O ' HG13 ' B' ' 19' ' ' ILE . 39.1 tp -66.48 -42.26 87.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 12' ' ' VAL . 73.2 mt -58.54 -45.79 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.07 0.462 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.598 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -57.84 -40.12 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.067 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 14' ' ' SER . 12.6 mm-40 -55.45 -48.05 75.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.254 0.549 . . . . 0.0 110.643 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 15' ' ' LEU . 5.3 mt -66.5 -37.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.604 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.41 -32.78 74.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.3 t -60.63 -47.06 94.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 22' ' ' VAL . 61.4 t -59.11 -58.01 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.8 mt -46.16 -58.32 3.74 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.07 -17.42 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -76.69 -20.6 56.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.23 0.538 . . . . 0.0 110.023 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -100.59 -5.77 26.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.931 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm 61.34 38.25 16.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.974 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.69 118.16 54.81 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.684 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.52 163.96 11.98 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.62 2.213 . . . . 0.0 111.751 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.488 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 20.6 m -56.66 -44.34 81.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.204 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.133 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -69.24 -41.33 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.353 . . . . 0.0 110.29 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -61.96 -42.1 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.037 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.5 mt -59.77 -45.2 92.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.8 ttp -68.37 -40.24 81.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.025 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.6 -60.32 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.515 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.6 mm? -54.75 -41.69 70.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.53 -42.73 94.15 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.803 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' B' ' 43' ' ' HIS . 29.1 m-80 -74.25 -27.09 60.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 82.6 m -66.37 -48.16 71.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.78 0.324 . . . . 0.0 110.374 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.8 t -61.26 -46.67 96.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.647 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -39.67 84.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.739 0.304 . . . . 0.0 111.467 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 42.3 t60 -57.86 -36.38 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.1 mt -81.98 -44.26 16.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.35 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.66 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 10.3 tt -60.53 -35.77 76.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.719 -175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.18 -46.75 13.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -90.61 -22.49 21.2 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.432 ' HE3' ' OG1' ' A' ' 30' ' ' THR . 28.9 mtpp -105.38 -12.26 16.1 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.202 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.66 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 58.3 t -119.11 130.76 24.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.21 142.73 27.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.175 2.584 . . . . 0.0 112.611 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.0 t -50.48 -44.31 55.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.879 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -63.35 -25.62 68.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -101.58 -3.9 27.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.514 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -61.74 -46.94 87.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.577 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -67.7 -31.12 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.546 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -51.06 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.252 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.77 -36.66 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.546 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.56 92.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -65.66 -43.29 89.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.958 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.21 94.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.712 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.424 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 47.5 t80 -61.71 -50.65 71.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.499 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.07 97.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.273 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.4 ' N ' ' HE3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -65.23 -34.67 78.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 178.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.58 89.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.154 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.44 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.5 mt -65.46 -47.34 76.47 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.24 90.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.056 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.475 HE21 ' HB3' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -62.91 -34.14 76.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -75.48 -23.22 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -95.32 -50.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.75 -21.07 61.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' B' ' 75' ' ' HIS . 12.9 p -66.38 -25.35 66.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.971 0.415 . . . . 0.0 111.013 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -72.39 -28.52 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -59.25 4.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.885 0.374 . . . . 0.0 110.996 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.98 16.93 2.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.221 0.534 . . . . 0.0 110.956 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' B' ' 71' ' ' SER . 18.3 t60 -91.58 -12.55 34.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -88.47 123.31 32.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.807 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 69.5 132.75 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.951 0.782 . . . . 0.0 110.765 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -81.01 106.96 13.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.358 0.599 . . . . 0.0 111.331 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -136.9 -35.29 0.71 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.474 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.92 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.627 0.251 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.32 101.17 13.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.012 0.434 . . . . 0.0 110.548 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 66.3 mt -97.13 120.78 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.341 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . 4.9 tp60 -124.79 157.68 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -69.05 104.61 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 7' ' ' TYR . 6.0 ttpm? 73.73 -19.97 0.32 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.99 0.916 . . . . 0.0 112.247 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.607 ' CE1' HD13 ' B' ' 32' ' ' LEU . 25.5 m-85 -114.98 144.76 43.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.469 0.652 . . . . 0.0 112.404 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -111.07 144.77 39.67 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 168.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.78 -40.88 73.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -65.03 -36.92 85.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.525 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.27 -53.47 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.457 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 16' ' ' ILE . 47.6 t -59.14 -48.3 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.713 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.63 -36.33 82.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -56.77 -47.97 78.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.767 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 19' ' ' ILE . 10.4 mp -60.27 -51.01 71.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.341 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.1 mt -54.35 -46.25 69.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 O-C-N 123.5 0.5 . . . . 0.0 110.979 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.84 -42.29 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.278 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.27 -36.05 71.59 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.643 0.259 . . . . 0.0 111.012 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' B' ' 19' ' ' ILE . 10.1 mm -59.26 -41.21 83.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.613 HD23 HD12 ' A' ' 23' ' ' LEU . 96.0 mt -67.25 -32.36 73.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.167 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.8 t -58.3 -44.71 88.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.663 0.268 . . . . 0.0 110.445 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.51 -50.09 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.531 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.769 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -53.23 -48.75 67.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.509 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -36.16 80.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.169 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 20.1 ttmm -72.36 -28.42 63.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.805 0.336 . . . . 0.0 110.682 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.44 -22.22 44.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? 61.54 47.59 6.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.66 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -76.18 130.08 78.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.801 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.8 Cg_exo -64.84 169.22 12.01 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.852 2.368 . . . . 0.0 111.212 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.446 HG23 ' HD3' ' B' ' 48' ' ' LYS . 63.6 m -52.3 -43.45 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.057 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.9 -59.82 4.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.923 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 HG22 ' B' ' 12' ' ' VAL . 35.4 tp -71.69 -31.95 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.164 -173.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' A' ' 37' ' ' LEU . 22.7 t -62.19 -47.41 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.21 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.48 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.5 ttm -66.71 -42.22 86.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.68 92.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.56 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -61.93 -50.93 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.38 -47.16 77.33 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.994 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.8 -41.42 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.713 0.292 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.4 -37.25 86.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.8 t -59.91 -48.03 89.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.598 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -34.54 67.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 0.0 111.609 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -66.62 -30.86 71.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.52 -39.05 74.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.298 174.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 96.1 mt -59.95 -48.86 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -68.17 -12.12 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.92 -65.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.09 -9.45 55.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.917 -170.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 48.5 t -112.45 133.24 21.85 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.984 -175.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.3 Cg_exo -55.41 150.14 43.45 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.089 2.526 . . . . 0.0 112.232 175.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -51.2 -56.99 9.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.09 -34.51 76.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.462 . . . . 0.0 110.971 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 m -71.32 -27.38 63.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 95.1 mtt180 -56.92 -33.23 66.74 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.688 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -71.02 -53.01 16.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.986 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -73.56 -37.85 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.974 -174.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.21 -41.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.56 85.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 0.0 110.26 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.71 -52.21 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.633 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 37.6 mm-40 -68.68 -29.91 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.437 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -64.46 -46.56 82.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.179 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.73 98.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.82 -42.21 97.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.919 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.36 85.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.21 -50.86 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.945 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.12 77.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.877 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.68 -38.42 89.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -63.76 -37.68 88.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.46 -38.92 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.352 0.596 . . . . 0.0 110.358 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -77.06 -2.43 34.05 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.156 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m -93.24 0.54 57.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.194 0.521 . . . . 0.0 110.441 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -80.54 -44.14 19.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.7 7.89 43.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.952 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -32.06 -55.65 0.31 Allowed 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.21 0.944 . . . . 0.0 113.454 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -105.99 101.32 10.82 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -112.79 112.2 23.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -96.29 127.59 42.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -51.33 114.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.819 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -110.64 129.94 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.936 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.425 177.338 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.584 0.23 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.76 86.56 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.787 0.327 . . . . 0.0 111.045 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -83.15 104.18 11.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -102.65 105.89 16.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.467 -175.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -117.22 -172.94 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.539 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -64.32 91.77 0.08 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.82 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 156.14 -170.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.669 1.588 . . . . 0.0 109.157 167.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 12' ' ' VAL . 39.2 m -147.57 120.81 8.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.692 0.282 . . . . 0.0 110.261 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.1 -49.67 76.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.201 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.0 m -62.28 -39.11 91.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.424 ' HG3' HD21 ' A' ' 32' ' ' LEU . 6.2 tp-100 -62.46 -50.98 69.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 32' ' ' LEU . 58.7 t -59.62 -50.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.933 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.98 -32.31 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.888 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 59.5 m -66.06 -41.0 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.519 ' O ' HG13 ' B' ' 19' ' ' ILE . 4.8 mt -58.86 -58.1 10.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.921 172.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.443 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 80.1 mt -46.16 -49.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.532 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.73 -50.64 72.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.077 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.89 -31.98 63.37 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.572 -173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 19' ' ' ILE . 78.7 mt -65.4 -39.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.058 0.456 . . . . 0.0 110.047 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.2 mt -66.6 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 17' ' ' ALA . 75.5 t -61.01 -38.34 79.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.6 -52.01 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.58 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.768 HD11 HD21 ' B' ' 37' ' ' LEU . 95.8 mt -49.98 -54.43 20.06 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.782 175.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -79.63 -4.81 53.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.46 -35.96 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.75 -16.23 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.921 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 tttm 60.62 47.79 7.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 108.971 -173.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -65.14 133.65 95.7 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.317 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 32.2 Cg_exo -58.82 163.94 10.5 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.867 2.378 . . . . 0.0 111.448 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.0 m -54.88 -43.55 73.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -73.19 -31.99 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.32 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.607 HD13 ' CE1' ' A' ' 7' ' ' TYR . 28.0 tp -74.95 -33.58 61.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.257 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m -61.22 -47.2 87.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.197 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.75 -35.7 79.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttm -67.31 -45.77 75.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.908 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.68 64.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 0.0 110.624 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.768 HD21 HD11 ' B' ' 23' ' ' LEU . 4.5 mm? -58.54 -52.1 67.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.321 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.105 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.12 -34.28 78.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.57 0.224 . . . . 0.0 110.569 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.0 t -68.56 -45.78 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.526 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 37' ' ' LEU . 96.4 t -57.1 -46.81 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.122 177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -68.04 -35.01 77.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.801 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -64.16 -35.75 81.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.425 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.43 -42.34 44.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.097 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.66 -49.57 77.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.701 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.49 -33.12 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -45.53 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.108 -0.37 . . . . 0.0 111.461 -173.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 30' ' ' THR . 65.2 mttm -86.03 -33.37 21.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.817 -172.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 57' ' ' VAL . 42.0 t -96.13 130.59 30.78 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.987 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 52.0 Cg_exo -55.46 145.8 66.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.796 2.331 . . . . 0.0 111.731 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -50.98 -39.92 56.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.051 0.453 . . . . 0.0 111.359 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.56 -25.52 64.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.965 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -101.23 -3.64 28.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.64 0.257 . . . . 0.0 111.304 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.2 mtt180 -66.3 -32.94 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.019 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -65.53 -42.41 92.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.003 0.43 . . . . 0.0 110.304 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -52.84 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.374 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.42 HG21 HG21 ' B' ' 49' ' ' VAL . 33.5 m -68.29 -26.76 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.386 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.61 92.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -71.46 -37.73 71.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.74 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 97.1 mt-30 -70.3 -42.16 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.111 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -60.47 -47.22 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.08 85.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.304 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' B' ' 60' ' ' GLN . 16.9 tppt? -56.37 -56.48 20.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.413 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.21 93.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.057 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.1 -50.77 70.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.48 87.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -70.38 -22.3 62.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.741 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 64.3 m -74.12 -43.59 56.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 0.0 110.2 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 -43.36 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.4 . . . . 0.0 110.683 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -75.23 -16.07 60.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.1 p -90.79 -27.41 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.267 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -80.79 -18.6 47.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -94.01 -20.25 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.042 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' B' ' 79' ' ' HIS . 0.7 OUTLIER 70.19 160.48 0.21 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.182 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.404 ' HB3' ' H ' ' B' ' 76' ' ' HIS . 86.6 m-70 -101.07 -153.16 0.44 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.293 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.404 ' H ' ' HB3' ' B' ' 75' ' ' HIS . 61.0 m-70 65.75 -168.34 0.21 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.127 -177.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -120.84 -26.37 5.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -126.86 121.09 30.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.016 172.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' B' ' 74' ' ' GLU . 95.2 m-70 -84.65 91.33 7.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.459 -167.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 16.3 p80 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.824 0.345 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.75 152.99 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 pt -102.46 140.67 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.153 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 61.13 -163.0 0.26 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.697 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -156.5 149.8 24.36 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.394 -0.191 . . . . 0.0 110.529 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HE2' ' HG3' ' B' ' 29' ' ' PRO . 24.2 tptm 76.28 -48.89 0.58 Allowed 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.014 0.821 . . . . 0.0 110.941 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -148.22 146.0 28.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 12' ' ' VAL . 30.7 t -94.23 153.71 17.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.922 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.57 -34.58 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.325 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -61.52 -41.24 97.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.326 0.584 . . . . 0.0 109.92 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.7 tt0 -68.55 -48.96 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.634 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 8' ' ' SER . 47.8 t -57.11 -49.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.613 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.55 -40.78 92.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.648 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.7 t -58.2 -42.37 86.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.653 ' HG ' ' ND1' ' B' ' 26' ' ' HIS . 10.5 mp -65.0 -49.47 70.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.196 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.2 mt -59.6 -45.27 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 O-C-N 123.526 0.516 . . . . 0.0 110.715 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.88 -45.26 90.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.38 -27.81 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.047 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.4 mt -68.33 -38.46 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 173.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 17' ' ' ALA . 94.9 t -58.82 -40.16 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.571 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' B' ' 22' ' ' VAL . 62.1 t -61.82 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.635 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 37' ' ' LEU . 95.8 mt -53.29 -51.02 63.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.293 174.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -36.66 84.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.946 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.82 -26.69 68.87 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -104.98 3.26 30.47 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.163 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 57.18 36.68 27.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.673 0.608 . . . . 0.0 110.846 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -62.29 116.32 21.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.821 -175.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 37.7 Cg_endo -67.4 158.71 55.78 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.415 2.077 . . . . 0.0 111.08 176.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.1 m -48.12 -48.16 34.14 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.308 0.38 . . . . 0.0 111.909 -176.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.81 -50.16 75.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.347 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.7 -34.7 69.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 t -65.12 -42.04 94.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.7 mt -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.249 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 46.3 ttm -63.2 -47.38 82.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.337 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.96 -59.32 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.625 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.1 mm? -55.04 -51.09 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.945 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.09 -38.79 96.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.544 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' MET . 16.9 t-20 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.2 m -63.26 -43.56 97.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.441 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.6 t -57.62 -47.52 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.447 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -70.11 -32.8 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.403 0.62 . . . . 0.0 110.416 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -68.52 -37.14 79.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.247 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.67 -32.33 70.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.018 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 93.9 mt -60.42 -38.08 82.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.992 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.09 -44.82 68.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.874 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.751 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 2.5 mmp_? -100.13 -8.89 23.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -168.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -131.0 -8.18 3.9 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.206 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.6 t -123.97 135.39 26.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.06 142.65 99.58 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.338 2.026 . . . . 0.0 111.541 174.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -40.08 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -26.97 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 m -93.61 -21.52 19.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.803 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.7 mtt180 -51.13 -48.34 61.8 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' B' ' 70' ' ' LYS . 91.7 mt-30 -63.12 -36.82 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -72.38 -42.77 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.51 -37.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.124 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.88 95.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.455 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.27 -44.59 78.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.638 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 97.6 mt-30 -61.47 -39.95 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -63.97 -45.54 88.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.865 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -57.91 -43.94 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -57.86 -54.02 51.67 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.763 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.37 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.341 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.83 -57.09 10.95 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.98 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.753 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.54 -46.36 90.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.054 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 75.3 m -56.93 -37.6 71.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.2 t -75.13 -49.88 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.513 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.01 -37.87 46.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -172.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 86.2 p -78.66 -11.04 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' SER . 59.6 t30 -70.13 -33.34 71.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.16 -62.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.721 ' HG2' ' H ' ' A' ' 75' ' ' HIS . 19.8 tt0 60.57 -149.58 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.084 173.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.721 ' H ' ' HG2' ' A' ' 74' ' ' GLU . 1.0 OUTLIER 78.08 -24.64 0.21 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.142 0.977 . . . . 0.0 112.066 176.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 67.16 10.91 8.07 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -89.33 -55.18 3.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.818 -0.551 . . . . 0.0 110.546 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -81.29 87.26 6.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.036 -174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -129.11 -1.43 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.596 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.696 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.049 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.968 0.413 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.48 103.95 13.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.2 tt -80.74 106.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.379 0.609 . . . . 0.0 111.991 -173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.68 -78.11 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.919 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -134.98 135.16 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -173.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -14.75 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.596 . . . . 0.0 109.74 173.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -85.75 142.99 28.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.064 -177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 40.9 t -74.91 136.83 41.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -55.98 -39.01 71.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.697 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 14' ' ' SER . 20.1 m -61.02 -36.54 79.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -71.44 -47.62 54.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.161 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' SER . 93.3 t -53.46 -55.54 12.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.369 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' B' ' 16' ' ' ILE . 43.8 mt-10 -76.66 -18.64 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.727 -176.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 10' ' ' THR . 23.0 t -65.2 -45.53 84.41 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.759 ' O ' HG12 ' B' ' 19' ' ' ILE . 10.4 mp -59.98 -51.61 68.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.337 177.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 13' ' ' GLU . 76.4 mt -51.53 -48.73 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.573 0.546 . . . . 0.0 110.736 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.71 -47.3 85.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.077 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.3 mt-10 -63.36 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.759 HG12 ' O ' ' B' ' 15' ' ' LEU . 7.9 mm -60.51 -44.58 96.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.96 -37.92 82.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.086 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.2 t -57.26 -39.19 66.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.634 HG21 HG21 ' A' ' 22' ' ' VAL . 48.5 t -67.81 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.1 -30.92 71.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.743 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.66 -43.42 97.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 60.8 mttm -66.59 -19.93 65.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.218 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.653 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 33.3 m170 -88.49 -24.46 22.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.202 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 7.8 mtpm? 57.25 37.3 28.19 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.771 0.669 . . . . 0.0 110.199 -174.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.1 125.2 91.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.483 -176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.476 ' HG3' ' HE2' ' A' ' 6' ' ' LYS . 33.2 Cg_endo -65.1 167.21 16.65 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.761 2.308 . . . . 0.0 111.976 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -53.18 -46.41 68.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -67.36 -37.88 83.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.669 0.271 . . . . 0.0 111.487 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.22 -40.14 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 11.5 p -66.48 -47.17 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.787 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.57 -37.27 83.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.934 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.8 ttm -67.15 -40.44 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HA ' ' ND2' ' B' ' 39' ' ' ASN . . . -71.43 -39.37 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.101 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 41' ' ' VAL . 49.9 mt -65.37 -39.65 92.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.07 -43.62 93.23 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.624 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.651 ' ND2' ' HA ' ' B' ' 36' ' ' ALA . 6.2 p30 -80.66 -24.89 38.63 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.033 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 39.1 t -70.36 -44.37 68.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.709 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.625 HG22 ' HB3' ' A' ' 37' ' ' LEU . 84.6 t -61.0 -44.85 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.314 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 4.0 m -67.88 -32.85 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.287 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' ASN . 17.0 t60 -63.88 -28.56 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.533 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 66.1 mt -71.53 -42.68 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.204 177.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.89 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 97.1 mt -62.8 -45.46 92.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.852 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.46 -15.35 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.233 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -96.65 -52.74 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -120.93 7.65 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -170.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.53 123.8 26.36 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.562 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.23 140.53 93.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.617 2.212 . . . . 0.0 111.598 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -46.86 -42.14 16.87 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.1 -55.66 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.919 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 57' ' ' VAL . 12.9 m -71.57 -24.98 62.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.437 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.89 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.0 ttm180 -57.64 -44.76 85.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.604 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.21 -36.61 79.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.214 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.36 77.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 53' ' ' SER . 98.9 t -66.04 -45.76 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.194 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.5 81.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.92 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.439 ' OE1' ' HE3' ' B' ' 63' ' ' LYS . 5.8 tp10 -57.38 -56.04 27.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.1 0.476 . . . . 0.0 110.709 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.42 -44.21 88.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.343 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.78 -44.73 95.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.954 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.43 -44.3 95.91 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.136 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 59' ' ' GLU . 98.7 mttt -73.08 -37.82 66.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.3 99.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.517 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.36 -51.59 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.17 94.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.293 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.18 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 m -65.32 -44.87 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.54 -39.55 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 110.833 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.526 ' HA ' HE21 ' A' ' 55' ' ' GLN . 64.8 tttp -67.71 -52.21 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' B' ' 74' ' ' GLU . 32.8 t -71.22 -16.94 62.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.365 -175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.59 -30.15 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.861 176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.05 -56.82 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' B' ' 71' ' ' SER . 33.9 mt-10 -91.94 93.16 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.868 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -81.22 163.46 23.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -103.18 96.62 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.289 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -154.32 147.3 24.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.156 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -146.78 106.26 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.242 0.544 . . . . 0.0 110.565 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -139.01 89.61 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 27.6 t60 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.407 174.831 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.64 147.87 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.806 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.0 mt -88.2 -31.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.471 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -75.79 -66.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.323 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t 63.14 -175.3 0.15 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.372 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -143.16 -60.51 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.681 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -112.15 109.37 19.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.935 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -100.07 -169.49 1.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.791 -174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -45.73 -47.1 15.38 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.597 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 m -50.28 -49.47 53.31 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.497 0.498 . . . . 0.0 111.748 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -70.8 -48.85 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.775 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.0 t -64.93 -49.99 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.467 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.81 -26.68 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.35 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 t -72.37 -35.21 68.43 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' O ' HG13 ' A' ' 19' ' ' ILE . 45.2 tp -64.14 -54.35 35.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.798 176.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 12' ' ' VAL . 66.2 mt -54.68 -39.74 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.686 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.54 -49.46 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.203 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -72.07 -33.35 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.034 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 15' ' ' LEU . 58.4 mt -62.57 -38.6 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 109.817 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.12 -33.9 76.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.349 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 17' ' ' ALA . 96.7 t -67.12 -32.82 59.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' B' ' 22' ' ' VAL . 56.5 t -67.87 -40.92 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 176.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.46 -53.14 61.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.88 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 27' ' ' LYS . 41.1 tt0 -65.33 -19.11 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.33 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.58 -36.19 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 110.071 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' HD22 ' B' ' 15' ' ' LEU . 7.0 p80 -120.19 18.6 12.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.134 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' GLU . 87.3 tttt 78.41 -53.21 0.49 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.574 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . . . 47.5 86.61 0.14 Allowed Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 123.982 0.802 . . . . 0.0 112.937 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.36 154.91 43.96 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.157 1.905 . . . . 0.0 111.101 174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.7 m -49.79 -43.13 48.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -52.96 -50.63 63.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' B' ' 12' ' ' VAL . 52.9 tp -69.25 -42.98 74.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.739 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -63.48 -40.43 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.528 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 30' ' ' THR . 84.1 mt -62.38 -45.91 91.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.674 0.273 . . . . 0.0 110.679 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.28 -38.41 91.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.035 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.22 -52.95 22.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.356 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -59.56 -40.64 87.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.64 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.89 -39.48 88.5 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.43 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.05 -34.62 57.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.79 -0.241 . . . . 0.0 110.971 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.56 0.219 . . . . 0.0 111.088 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.1 t -61.29 -46.59 96.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 110.237 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -63.72 -39.96 95.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.278 0.561 . . . . 0.0 110.701 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.932 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.2 -39.29 75.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.83 0.347 . . . . 0.0 110.453 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 49' ' ' VAL . 96.1 mt -61.2 -41.55 97.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.59 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -72.31 -12.58 61.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.541 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.6 mmm180 -102.99 -67.28 0.89 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' ' OG1' ' B' ' 30' ' ' THR . 44.6 mtmt -106.61 16.53 24.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.06 -171.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD23 ' A' ' 45' ' ' LEU . 46.9 t -123.48 123.63 26.42 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -56.64 140.67 90.77 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.848 2.365 . . . . 0.0 111.593 177.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB3' HD21 ' B' ' 73' ' ' LEU . 9.2 m -55.43 -30.61 60.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.91 -174.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.34 -26.42 61.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.946 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -104.55 -9.63 18.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.3 mtt180 -58.26 -43.11 87.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.883 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 mp0 -62.09 -43.74 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.605 -178.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.5 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.681 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.92 -42.67 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.498 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.32 94.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.451 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 56.4 mt-10 -62.67 -49.11 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -71.94 -30.81 65.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.142 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.71 -38.52 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 109.529 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.32 -37.35 68.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.064 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -63.62 -41.91 98.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.314 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.29 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.866 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 7.4 mp -59.29 -47.78 84.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.25 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.303 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.69 -38.48 70.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' LEU . 61.3 t -63.7 -43.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -63.63 -52.7 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.217 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -57.84 -31.0 66.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.756 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.36 -35.68 79.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.955 0.407 . . . . 0.0 110.822 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' B' ' 51' ' ' SER . 52.6 mt -101.05 -14.47 17.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.605 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -78.76 104.63 9.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -169.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 24.8 t60 -178.02 -57.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.29 166.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -96.94 120.4 37.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -124.18 157.97 33.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.493 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -116.57 -35.09 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.82 0 O-C-N 124.697 1.248 . . . . 0.0 108.867 171.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.63 -172.9 4.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.494 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt 67.28 -71.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 123.78 0.675 . . . . 0.0 111.646 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.507 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 5.8 tp60 -78.04 116.78 18.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.013 0.435 . . . . 0.0 110.478 -177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -105.68 121.48 44.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.299 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -65.73 -30.63 71.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' B' ' 6' ' ' LYS . 49.4 m-85 -133.33 146.71 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -78.92 149.15 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 172.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -58.48 -39.39 79.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -61.78 -24.21 66.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -66.86 -48.26 69.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.501 ' O ' HG13 ' B' ' 16' ' ' ILE . 21.2 t -71.22 -45.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.17 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -55.53 -55.07 36.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.962 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -73.49 -21.7 60.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.192 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.544 ' O ' HG13 ' B' ' 19' ' ' ILE . 19.8 tp -68.23 -42.71 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.2 mt -54.27 -47.1 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -63.77 -37.01 85.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.347 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 7.8 tp10 -64.03 -46.55 83.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.252 0.548 . . . . 0.0 109.958 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 15' ' ' LEU . 17.5 mt -67.91 -33.54 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.335 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.2 mt -64.73 -39.09 93.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.579 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 17' ' ' ALA . 82.9 t -59.59 -39.66 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.33 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 22' ' ' VAL . 16.7 t -55.91 -56.49 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.445 177.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.09 -42.38 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.997 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.97 -46.52 90.38 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 29.2 mtpp -63.58 -16.23 60.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.908 -177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -108.71 -4.05 17.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.658 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 56.65 36.22 27.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.435 0.636 . . . . 0.0 110.148 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 123.03 76.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.837 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.0 158.04 31.45 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.898 2.398 . . . . 0.0 111.534 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 5.1 m -55.81 -47.47 77.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -59.34 -48.29 82.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.9 -43.52 98.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 27.0 m -62.97 -48.1 80.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.97 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' THR . 96.0 mt -61.7 -41.53 97.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.043 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.7 ttm -63.14 -44.09 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.198 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.0 93.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.915 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 33' ' ' SER . 60.5 mt -66.77 -40.95 88.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.58 90.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.025 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.58 -32.58 74.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.519 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.485 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.3 t -63.35 -53.69 48.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.516 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 37' ' ' LEU . 65.6 t -57.67 -44.37 85.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -61.38 -40.63 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.578 . . . . 0.0 110.562 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -74.29 -27.55 60.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.082 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 95.4 mt -67.45 -36.49 81.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.019 0.437 . . . . 0.0 109.915 175.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.694 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.466 ' HA ' ' NH2' ' B' ' 54' ' ' ARG . 42.2 mt-10 -67.09 -22.15 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.832 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' B' ' 47' ' ' ARG . 0.6 OUTLIER -85.48 -34.27 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -170.629 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -130.51 -30.61 1.87 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.949 -0.701 . . . . 0.0 112.477 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.6 123.37 65.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.524 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.605 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.49 148.47 80.76 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.704 2.269 . . . . 0.0 111.391 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.857 ' HB3' HD11 ' A' ' 73' ' ' LEU . 14.9 m -56.7 -38.34 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.887 0.375 . . . . 0.0 111.318 -175.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.43 -43.06 99.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.879 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.458 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -76.95 -31.19 56.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.3 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.9 mtt180 -51.7 -37.51 51.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.238 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -57.33 -52.45 65.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.193 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.93 -31.18 59.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.207 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 53' ' ' SER . 96.1 t -64.3 -46.59 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.784 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.84 -48.15 80.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.63 -35.08 79.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.24 -49.61 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.136 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.82 92.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.628 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -61.31 -45.69 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.546 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.99 78.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.856 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -61.28 -48.42 81.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.79 78.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.538 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.3 -38.84 92.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.235 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -63.42 -47.4 82.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.37 -42.47 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.52 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.37 -36.78 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.4 t -62.55 -25.68 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.823 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -73.67 -23.17 59.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.301 0.572 . . . . 0.0 110.226 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 51' ' ' SER . 88.1 mt -100.01 -12.71 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.3 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -82.72 146.92 28.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.132 0.492 . . . . 0.0 111.045 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -75.27 120.06 20.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.732 -172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -70.17 112.21 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.651 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -89.31 -172.11 3.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -106.22 58.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.493 0.663 . . . . 0.0 111.308 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.59 -46.89 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m80 . . . . . 0 C--O 1.251 1.133 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.902 171.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.13 -82.56 0.55 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.317 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mm 56.26 93.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 123.787 0.68 . . . . 0.0 111.824 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.09 111.8 24.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p 49.08 23.39 0.74 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 69.94 -58.64 0.53 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.029 0.531 . . . . 0.0 111.303 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.29 155.31 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p -69.39 144.86 53.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.976 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.97 -54.86 33.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.642 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -57.73 -36.74 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.4 tt0 -63.27 -53.29 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 16' ' ' ILE . 27.8 t -64.03 -43.35 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.082 178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.62 -52.09 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.674 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 p -66.73 -30.8 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.367 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -68.54 -47.84 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.738 176.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.4 mt -58.27 -44.48 88.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.341 178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.99 -44.25 78.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.262 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tp10 -60.71 -44.42 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 15' ' ' LEU . 17.5 mt -65.62 -36.53 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.381 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.31 -38.39 90.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.274 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 17' ' ' ALA . 95.3 t -64.04 -31.69 54.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.439 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' B' ' 22' ' ' VAL . 84.1 t -59.95 -55.65 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.63 0.252 . . . . 0.0 110.612 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.75 -51.66 66.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.939 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -44.17 84.73 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.092 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.71 -24.59 67.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.704 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -94.98 -2.44 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 tttp 63.47 31.07 15.17 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.66 . . . . 0.0 110.152 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.21 130.79 64.58 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.166 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.92 157.21 62.66 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.47 2.113 . . . . 0.0 111.457 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -54.23 -38.2 65.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.635 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.4 -44.4 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.707 HD11 HG22 ' B' ' 12' ' ' VAL . 40.1 tp -73.11 -31.16 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.228 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -63.33 -47.22 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.422 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.87 -39.79 90.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.381 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -62.58 -46.16 89.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.682 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.1 77.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.278 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.64 76.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.359 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -70.2 -35.24 73.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.406 0.146 . . . . 0.0 110.808 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 t -60.87 -52.31 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.6 t -59.38 -44.62 92.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.67 -32.53 71.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.744 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -69.62 -27.45 65.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.904 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.42 -36.57 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 90.2 mt -64.79 -31.91 73.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.651 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 7.3 pt-20 -87.04 -14.32 41.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 21.6 mmt180 -107.43 -62.51 1.41 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -84.9 -13.91 49.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 -175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.0 t -110.65 129.22 24.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.629 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.48 151.39 85.06 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.32 2.014 . . . . 0.0 111.299 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 m -53.47 -30.69 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.693 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -53.08 57.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.152 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -94.82 -11.74 28.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.699 0.285 . . . . 0.0 111.131 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 46' ' ' GLU . 41.1 ttm180 -54.57 -42.2 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.485 -177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -78.14 -41.01 36.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.247 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.28 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.699 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.7 -38.83 77.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.476 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.43 73.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.221 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 26.5 mt-10 -67.84 -45.23 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.674 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.74 -39.46 91.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.91 -42.24 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.57 -47.12 87.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.312 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 54.5 mttm -62.25 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.65 97.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.93 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.66 -51.97 67.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.35 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.21 95.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.493 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.85 -30.57 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.3 m -67.11 -36.55 82.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.921 0.391 . . . . 0.0 110.24 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG12 ' NE2' ' B' ' 55' ' ' GLN . 15.8 t -75.06 -39.99 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.088 0.47 . . . . 0.0 110.327 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 53.3 tttm -55.69 -27.01 47.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.642 -173.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.4 t -59.97 -24.45 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.228 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.544 ' ND2' HH11 ' B' ' 54' ' ' ARG . 11.7 p30 -87.46 -21.56 25.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.875 0.369 . . . . 0.0 110.663 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -96.81 -40.74 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.248 -173.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 78' ' ' HIS . 17.4 pt-20 -83.22 34.47 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.319 0.581 . . . . 0.0 111.253 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.445 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 33.4 t-80 -62.02 103.53 0.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.184 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 24.5 t-80 76.74 -40.45 0.37 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.481 0.712 . . . . 0.0 110.927 -177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -93.59 76.44 4.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 110.074 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 74' ' ' GLU . 49.5 t60 -63.74 -40.04 95.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 109.415 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -179.37 -38.39 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.401 165.538 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.926 0.393 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.93 -28.57 24.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.3 111.15 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.895 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.43 79.22 1.68 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.302 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -150.62 143.43 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.166 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -124.3 -47.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 0.0 110.023 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.33 131.2 49.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -74.26 133.91 42.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -53.84 -45.75 71.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.643 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.3 m -59.79 -42.3 93.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.007 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -61.99 -48.94 78.09 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.808 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.707 HG22 HD11 ' A' ' 32' ' ' LEU . 45.7 t -64.47 -46.17 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.55 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.005 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 m -71.93 -35.57 69.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.661 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.623 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.5 tp -60.28 -53.33 58.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.148 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.42 -39.72 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.424 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.523 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.57 -46.9 80.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.473 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 34.6 tt0 -65.23 -39.5 92.83 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.532 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.623 HG13 ' O ' ' B' ' 15' ' ' LEU . 20.5 mt -60.03 -41.58 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.74 -43.09 94.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.108 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 78.0 t -59.12 -41.32 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.8 HG21 HG21 ' A' ' 22' ' ' VAL . 78.5 t -56.64 -51.77 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.664 0.269 . . . . 0.0 111.211 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' B' ' 33' ' ' SER . 94.3 mt -57.7 -38.82 75.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.814 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.75 -28.33 63.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.141 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 91.8 mttt -54.16 -45.86 72.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.153 0.501 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -97.93 -4.34 36.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.809 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt 51.51 43.32 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.704 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.6 136.18 92.37 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.515 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.75 161.34 15.34 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.416 2.077 . . . . 0.0 111.396 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -56.73 -35.73 68.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.53 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -61.31 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.967 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.74 -38.02 79.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.19 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 59.5 m -64.4 -45.58 87.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.006 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.32 -38.53 87.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.839 0.352 . . . . 0.0 110.413 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttm -61.61 -42.6 99.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.86 70.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 41' ' ' VAL . 72.5 mt -61.96 -39.0 90.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.2 -52.64 50.25 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -67.3 -28.32 67.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.561 0.219 . . . . 0.0 110.488 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 51.8 t -64.4 -55.69 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.51 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.6 t -57.33 -44.82 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.735 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.426 HG23 HG22 ' A' ' 69' ' ' VAL . 4.1 m -66.65 -35.93 81.35 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.791 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -68.94 -32.2 71.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.3 mt -66.31 -44.16 84.22 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.006 0.431 . . . . 0.0 109.921 176.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.36 -44.09 95.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.564 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.483 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 6.3 mt-10 -74.93 0.39 15.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -107.48 -58.07 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.623 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.408 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -86.66 -44.28 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.184 0.516 . . . . 0.0 110.567 -173.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.75 133.99 51.23 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.695 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 50.3 Cg_exo -56.85 148.26 67.95 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.898 2.399 . . . . 0.0 112.364 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.9 m -45.14 -50.17 11.45 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -29.3 39.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 111.04 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' B' ' 57' ' ' VAL . 14.5 m -71.04 -31.42 67.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.431 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 93.6 mtt180 -53.56 -42.12 67.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.214 0.531 . . . . 0.0 110.762 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.617 ' NE2' HG12 ' A' ' 69' ' ' VAL . 42.7 mm-40 -63.51 -44.32 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.516 -176.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.26 90.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.808 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 53' ' ' SER . 67.2 t -63.01 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.49 96.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.923 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.77 -50.27 74.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 109.785 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -66.86 -37.68 84.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.98 -47.95 78.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.475 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.789 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.11 -40.46 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.381 0.61 . . . . 0.0 110.371 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . 27.4 ttmt -62.0 -51.75 66.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.598 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.2 tp -59.37 -58.05 10.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.281 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.58 78.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.249 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -40.17 96.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.08 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -67.15 -33.99 76.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.581 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 54' ' ' ARG . 96.9 t -65.59 -50.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.072 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -21.99 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.177 -177.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 67.9 m -68.64 -30.59 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.668 176.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -83.26 -6.87 59.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.095 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -100.65 -1.2 35.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.531 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.42 82.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.744 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' HIS . 4.1 p80 -147.29 85.09 1.58 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.596 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' B' ' 75' ' ' HIS . 5.1 t-160 173.32 -24.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -77.27 -175.8 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.359 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -78.84 53.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.933 0.396 . . . . 0.0 111.219 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 44.08 33.37 0.78 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.766 1.226 . . . . 0.0 113.653 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.534 175.087 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.28 148.73 15.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.27 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.69 11.45 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.206 0.527 . . . . 0.0 111.241 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.03 163.69 29.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.232 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -74.89 134.35 41.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.415 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -81.0 -24.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.955 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -120.5 133.14 55.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.871 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 p -76.27 167.86 21.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.252 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -62.73 -35.44 79.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.035 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 13' ' ' GLU . 14.7 t -81.16 -23.95 37.9 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.294 -177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.94 -61.57 2.48 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.66 -38.91 67.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.866 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 10' ' ' THR . 31.5 tt0 -52.45 -56.38 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.386 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.2 p -59.63 -36.57 76.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.641 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' HG12 ' A' ' 19' ' ' ILE . 6.4 mp -69.65 -52.15 28.38 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.907 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.2 mt -56.96 -45.96 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.868 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -45.54 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.293 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' OE2' HG13 ' B' ' 22' ' ' VAL . 35.7 tt0 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.782 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 15' ' ' LEU . 3.3 pt -70.75 -36.56 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 111.387 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.93 -43.45 95.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.411 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.6 t -61.33 -38.41 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.44 -48.5 82.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.187 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD11 HD21 ' A' ' 37' ' ' LEU . 66.6 mt -59.23 -44.17 92.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.682 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -75.61 -32.38 60.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.849 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 21' ' ' VAL . 50.7 mtmt -67.74 -38.46 83.54 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 122.208 -0.308 . . . . 0.0 111.032 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -79.4 -14.76 58.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 tttp 52.33 62.89 2.47 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.806 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 123.62 89.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.405 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.89 168.52 3.31 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.885 2.39 . . . . 0.0 112.281 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -52.85 -51.51 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.853 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.73 -41.74 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.762 0.315 . . . . 0.0 111.008 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CZ ' ' B' ' 7' ' ' TYR . 54.5 tp -62.52 -44.88 95.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.077 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' HD23 ' A' ' 37' ' ' LEU . 13.6 p -66.14 -46.8 76.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.905 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.14 -46.24 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.745 0.307 . . . . 0.0 110.598 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttp -63.26 -44.58 94.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.164 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.28 73.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.652 0.263 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.6 mm? -62.17 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.802 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.21 58.63 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.397 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -60.58 -38.91 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.503 0.192 . . . . 0.0 110.511 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.2 t -62.18 -50.57 71.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.004 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 37' ' ' LEU . 85.7 t -60.86 -44.02 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -68.56 -30.48 69.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.265 0.555 . . . . 0.0 110.066 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -71.16 -28.73 64.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.56 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.0 mt -64.76 -39.13 93.1 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.251 0.548 . . . . 0.0 110.102 176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 73.3 mt -63.04 -32.59 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.261 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.17 -20.12 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.311 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -94.46 -47.62 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -116.13 -17.15 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.95 129.31 25.05 Favored Pre-proline 0 C--N 1.319 -0.732 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.817 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.4 Cg_exo -62.73 147.53 94.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.563 2.175 . . . . 0.0 111.064 171.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.497 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m -58.97 -33.02 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -172.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.53 -35.33 77.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.252 0.549 . . . . 0.0 110.855 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -93.4 -17.96 22.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.331 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 51' ' ' SER . 94.2 mtt180 -55.11 -41.36 71.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -49.06 47.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.65 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.488 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.36 -47.88 90.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.554 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.87 79.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.48 -48.13 73.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.106 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -70.29 -35.08 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' B' ' 38' ' ' GLY . 39.7 t80 -56.95 -49.62 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -59.05 -43.26 91.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.159 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 19.1 ttmt -68.08 -29.47 68.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.104 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.72 95.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.668 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.5 mt -63.69 -40.71 97.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.0 91.09 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.869 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 60.0 mm-40 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.2 m -65.2 -42.87 93.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.323 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 65' ' ' LEU . 48.2 t -61.21 -45.72 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.132 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.5 t -61.59 -36.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.625 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.09 -27.51 63.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.999 0.428 . . . . 0.0 110.486 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.6 mt -84.46 -5.83 59.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.6 122.55 45.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.274 0.559 . . . . 0.0 111.447 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -115.19 22.28 13.45 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 35.7 m170 -75.26 173.25 11.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.15 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 76' ' ' HIS . 42.2 m-70 75.13 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.437 0.695 . . . . 0.0 111.435 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -85.11 -42.72 14.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.354 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -155.39 145.97 22.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.703 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.149 174.318 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.38 108.58 13.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.54 98.48 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.007 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -81.63 -31.32 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.285 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -76.63 99.15 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.57 93.16 0.89 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.743 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 20.0 m-85 69.81 -159.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.028 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.3 t -147.03 147.94 31.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.04 -39.46 82.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 0.0 110.203 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -59.41 -42.9 92.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -62.54 -52.86 61.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.15 -44.4 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.27 -50.39 74.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.9 p -67.31 -37.51 83.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.841 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 19' ' ' ILE . 49.2 tp -60.36 -51.86 67.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.469 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 90.3 mt -58.2 -43.64 86.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.298 177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.46 -38.79 85.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.252 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.62 -46.94 85.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.706 0.288 . . . . 0.0 110.928 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 15' ' ' LEU . 10.7 mt -61.12 -39.41 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.231 0.539 . . . . 0.0 109.884 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.4 mt -65.28 -41.86 93.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.0 t -57.54 -40.65 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.433 HG13 ' OE2' ' A' ' 18' ' ' GLU . 88.8 t -61.01 -44.57 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.566 HD11 HD21 ' B' ' 37' ' ' LEU . 73.9 mt -71.83 -36.72 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.51 -40.44 94.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.732 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.79 -31.9 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.555 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.449 ' ND1' ' HG ' ' A' ' 15' ' ' LEU . 57.5 m170 -84.06 -27.05 28.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.215 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.34 37.32 28.02 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.26 0.552 . . . . 0.0 110.065 -175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.53 135.22 90.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.443 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.76 174.67 10.75 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.616 2.211 . . . . 0.0 111.223 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -56.2 -39.82 73.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.195 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.87 -55.28 34.42 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.338 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.448 ' HG ' HD22 ' A' ' 15' ' ' LEU . 32.9 tp -77.37 -33.22 55.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.568 -170.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.456 ' O ' HD23 ' B' ' 37' ' ' LEU . 12.0 p -66.14 -57.01 8.61 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.06 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.64 -37.78 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.8 ttm -61.02 -52.52 64.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.75 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.88 69.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.566 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -59.24 -45.34 91.43 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 61' ' ' PHE . . . -57.93 -44.99 94.22 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.146 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.55 -38.72 90.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.72 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.523 ' SG ' HG23 ' A' ' 16' ' ' ILE . 75.0 m -61.84 -48.02 82.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.472 0.177 . . . . 0.0 111.472 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 37' ' ' LEU . 62.1 t -58.93 -46.95 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.676 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 45' ' ' LEU . 1.3 m -73.41 -24.07 60.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 24.3 t60 -73.09 -36.7 66.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.722 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.77 -22.84 62.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.712 0.292 . . . . 0.0 110.633 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 42' ' ' THR . 89.8 mt -61.96 -38.66 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.998 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 25.4 mt-10 -65.49 -30.0 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 0.0 110.516 178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 43' ' ' HIS . 3.8 mmt180 -87.64 -53.36 4.82 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.071 -168.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -100.63 -8.41 22.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 29.9 t -121.85 132.87 24.15 Favored Pre-proline 0 C--N 1.321 -0.659 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.613 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.529 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 25.2 Cg_exo -62.73 147.59 94.51 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.748 2.298 . . . . 0.0 111.02 173.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -51.57 -42.69 62.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.21 -25.14 68.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 111.591 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m -102.06 -12.58 18.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.641 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.6 mtt180 -58.51 -48.05 82.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.9 -36.11 79.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.314 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.22 75.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.842 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -38.98 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.4 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.873 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.82 -42.42 97.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.86 -40.71 83.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.914 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.89 -39.05 87.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.871 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -66.44 -42.38 87.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -61.12 -47.47 86.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.08 90.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.72 -60.42 3.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.527 0.68 . . . . 0.0 110.472 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -65.67 -31.23 72.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' B' ' 70' ' ' LYS . 50.7 tt0 -79.92 -22.49 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.642 0.258 . . . . 0.0 110.564 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -64.76 -40.82 95.91 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.63 -41.19 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.297 173.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.629 ' HB2' ' HA ' ' B' ' 67' ' ' GLN . 58.1 mttp -60.17 -23.93 64.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.191 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -69.61 -20.08 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -22.64 38.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.226 0.536 . . . . 0.0 109.686 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.6 -10.97 35.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.84 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -78.23 88.06 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -140.52 28.91 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -72.29 175.47 6.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.23 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -136.58 100.99 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.359 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -90.4 134.42 34.35 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -99.31 -13.47 19.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 . . . . . 0 C--O 1.244 0.796 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.844 175.072 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.138 0.494 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.47 82.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.235 0.541 . . . . 0.0 110.603 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.7 18.53 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.51 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.85 146.5 48.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.041 -173.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -79.39 144.09 34.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.02 -7.86 9.4 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.963 -175.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' CD2' HD13 ' B' ' 32' ' ' LEU . 1.3 p90 40.01 97.32 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.681 1.238 . . . . 0.0 113.417 171.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t -76.98 -177.1 4.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.257 -173.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -52.43 -44.37 65.42 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.79 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.2 m -56.84 -45.92 82.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -63.89 -44.8 91.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.85 -42.6 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.39 -43.26 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -58.69 -46.29 87.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.261 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' B' ' 36' ' ' ALA . 29.5 tp -61.23 -48.28 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.735 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.41 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.17 -40.09 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.847 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.0 mt-10 -68.7 -44.8 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.326 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -65.86 -31.4 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.61 0.243 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.54 -42.9 73.99 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 110.46 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ALA . 70.0 t -59.71 -38.72 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.366 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' B' ' 18' ' ' GLU . 78.1 t -58.71 -48.61 85.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.495 175.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -54.9 -49.29 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -34.27 77.39 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' HG12 ' A' ' 21' ' ' VAL . 96.3 mttt -63.03 -36.25 82.93 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.242 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -88.52 -15.87 34.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.142 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 50.17 80.49 0.07 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.619 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.21 135.93 19.26 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.173 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.9 166.49 20.34 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.66 2.24 . . . . 0.0 111.551 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -55.78 -46.77 77.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.096 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.4 -43.89 75.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.972 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' B' ' 12' ' ' VAL . 36.4 tp -73.72 -43.03 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.975 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 37' ' ' LEU . 18.4 p -62.48 -46.68 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.424 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.52 -36.55 84.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 tpp -62.02 -49.93 74.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.4 88.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -61.19 -45.92 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.421 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.97 94.8 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.709 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -70.4 -28.65 65.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.684 0.278 . . . . 0.0 110.746 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.22 -45.83 68.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.694 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' B' ' 37' ' ' LEU . 54.5 t -63.01 -42.42 96.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 121.089 0.471 . . . . 0.0 110.143 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.3 m -64.09 -39.3 93.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.563 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -58.13 -34.93 70.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.26 -45.17 61.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.815 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 69.6 mt -58.94 -53.38 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.19 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 3.3 tp10 -69.43 -20.64 63.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.903 -172.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -107.48 -52.25 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -93.55 -7.88 42.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.858 0.361 . . . . 0.0 111.402 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 60.4 t -111.46 133.32 21.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.65 0.262 . . . . 0.0 110.835 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 77.3 Cg_exo -50.62 145.44 22.76 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.127 2.551 . . . . 0.0 112.671 177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 m -52.66 -45.07 66.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.907 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -70.6 -24.53 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -175.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 m -94.15 -15.77 24.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.789 -173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 91.6 mtt180 -55.8 -39.08 70.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.47 0.176 . . . . 0.0 111.243 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 55' ' ' GLN . 22.2 mt-30 -71.97 -51.66 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.77 98.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.96 -175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.82 -38.43 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.2 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.35 -46.16 89.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.684 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.36 -38.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.666 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.19 -43.44 95.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.052 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.41 89.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.496 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.96 -51.39 64.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.975 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.228 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.03 -51.54 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.098 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -61.02 -45.38 95.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -57.73 -42.87 84.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.332 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -62.14 -41.61 98.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.92 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.499 HG13 ' HG2' ' B' ' 54' ' ' ARG . 92.3 t -73.09 -40.62 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.375 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.708 ' HE2' ' HB1' ' A' ' 66' ' ' ALA . 61.3 mttm -70.34 -32.13 69.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.485 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.6 m -85.98 -6.76 59.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -71.91 -30.79 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mp -78.85 -38.3 38.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.948 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 71.04 -45.72 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.82 0.848 . . . . 0.0 112.336 176.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -72.98 82.64 1.23 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.287 0.565 . . . . 0.0 111.744 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -139.37 122.23 16.58 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 172.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.51 84.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 65.76 173.18 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.363 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -76.26 72.73 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.798 0.809 . . . . 0.0 111.872 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.238 174.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.654 0.264 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.16 83.15 0.15 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.184 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 tp -168.7 125.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.299 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' B' ' 5' ' ' SER . 8.1 pt20 -128.27 -53.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.558 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.45 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 38.0 t 66.45 145.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.691 0.758 . . . . 0.0 111.867 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.84 1.31 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.002 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.58 147.36 48.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 35.8 t -67.62 126.69 30.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.83 174.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.74 -32.56 71.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.21 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -74.8 -36.02 62.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.663 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 58.2 tp60 -59.03 -51.85 68.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 32' ' ' LEU . 46.4 t -61.03 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.34 -42.63 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.434 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.4 m -63.9 -36.05 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.02 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.553 ' O ' HG13 ' B' ' 19' ' ' ILE . 6.4 mp -62.06 -41.32 98.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.675 0.274 . . . . 0.0 110.727 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 12' ' ' VAL . 67.4 mt -59.14 -45.96 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.075 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.4 -35.02 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.154 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 14' ' ' SER . 9.1 mm-40 -59.75 -48.38 81.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.325 0.583 . . . . 0.0 110.61 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 15' ' ' LEU . 2.1 mt -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.018 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.41 -41.08 96.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 17' ' ' ALA . 71.5 t -55.87 -46.14 80.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.23 -42.25 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.551 HD11 HD21 ' B' ' 37' ' ' LEU . 97.5 mt -62.37 -41.36 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.26 -23.69 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.584 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HE2' HG12 ' B' ' 21' ' ' VAL . 68.7 mttm -61.68 -40.75 96.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.664 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -99.25 3.44 46.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.183 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 tptt 57.86 37.09 26.88 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.587 0.555 . . . . 0.0 110.591 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -58.05 116.55 14.97 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.288 -173.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 17.6 Cg_exo -67.56 176.81 4.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.243 2.629 . . . . 0.0 111.806 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 m -48.16 -56.03 8.89 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -60.1 -47.6 85.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.534 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 7' ' ' TYR . 23.4 tp -66.54 -34.01 76.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.703 -177.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.441 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.0 m -63.37 -53.65 49.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.964 0.412 . . . . 0.0 109.966 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.33 -36.85 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.119 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.9 ttm -62.5 -55.9 23.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -59.55 -46.17 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.36 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.598 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.4 mm? -63.17 -45.22 92.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.37 94.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.295 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -63.05 -38.99 93.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.676 0.274 . . . . 0.0 110.27 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 45.7 t -60.13 -53.92 52.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 97.7 t -54.85 -47.61 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.1 m -62.42 -40.07 95.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.39 -29.67 62.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 74.0 mt -63.54 -48.73 76.33 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 95.3 mt -58.42 -31.83 68.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.478 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.66 -45.3 37.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.719 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -26.44 26.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -112.02 -40.82 4.12 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.559 -0.457 . . . . 0.0 112.133 -173.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.455 HG21 HD23 ' B' ' 45' ' ' LEU . 41.7 t -93.5 135.85 24.85 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.352 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.6 149.22 83.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.79 2.327 . . . . 0.0 111.785 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -54.06 -36.52 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.18 -43.67 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -88.99 -14.52 36.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.442 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 35.1 ttm180 -55.91 -47.26 77.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.385 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 27.3 tt0 -73.34 -42.16 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.742 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.21 77.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.265 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.6 t -70.33 -34.58 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.12 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.124 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' GLN . 38.2 mm-40 -59.51 -46.06 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.197 0.522 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.95 -43.02 97.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.777 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.52 -44.3 97.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.464 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.32 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.718 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -69.45 -38.98 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.95 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.192 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.61 -45.78 92.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.98 90.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.53 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -67.24 -39.33 86.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.263 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -64.06 -29.86 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.63 -49.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.604 . . . . 0.0 110.668 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' B' ' 70' ' ' LYS . 35.8 ttpt -60.78 -36.43 78.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.972 -174.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -64.3 -25.83 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 111.059 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -85.71 -25.93 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.356 0.598 . . . . 0.0 109.946 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -87.32 -29.03 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.197 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.82 139.25 58.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.376 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -62.52 115.7 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -121.51 164.06 17.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -64.04 123.19 18.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.252 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -104.62 173.82 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.552 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -136.03 154.92 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.678 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 26.3 p80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.449 173.254 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.75 0.309 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.5 87.83 2.94 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.079 0.466 . . . . 0.0 111.819 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 3' ' ' ILE . 3.6 mp -75.59 -83.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 169.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.418 HE21 ' HB2' ' A' ' 4' ' ' GLN . 12.8 mt-30 50.93 -162.57 0.06 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.951 0.782 . . . . 0.0 112.626 169.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -105.3 90.38 3.41 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.842 169.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -76.78 -46.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -91.38 101.44 14.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.853 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 p -73.15 147.86 44.41 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -55.97 -35.95 67.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 110.093 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -62.54 -45.52 92.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.173 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.42 -47.05 83.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.329 . . . . 0.0 110.599 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.527 HG22 HD11 ' B' ' 32' ' ' LEU . 62.1 t -66.45 -50.16 69.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.805 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.39 -41.67 94.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.618 0.247 . . . . 0.0 111.016 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 23.3 t -63.8 -39.56 94.55 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 19' ' ' ILE . 33.0 tp -65.23 -43.07 92.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.549 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 12' ' ' VAL . 81.7 mt -58.38 -43.8 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.145 0.498 . . . . 0.0 109.819 175.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.803 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' SER . 21.2 mm-40 -54.94 -48.4 73.21 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.316 0.385 . . . . 0.0 110.473 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' B' ' 19' ' ' ILE . 4.9 mm -62.4 -42.6 96.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.019 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.45 -35.85 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.985 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' ALA . 74.8 t -61.84 -40.59 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.614 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.82 -50.48 79.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.072 0.463 . . . . 0.0 110.228 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 76.8 mt -56.46 -49.3 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.356 174.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.75 -36.51 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.285 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HE2' HG12 ' A' ' 21' ' ' VAL . 64.7 mttm -60.11 -33.95 72.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.712 0.291 . . . . 0.0 111.428 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.44 -11.14 52.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt 58.53 29.25 18.14 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.637 0.586 . . . . 0.0 110.07 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -66.59 133.0 94.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.916 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 24.9 Cg_exo -63.57 160.53 35.64 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.675 2.25 . . . . 0.0 110.879 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG22 ' B' ' 49' ' ' VAL . 2.1 m -57.72 -35.4 70.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.637 0.256 . . . . 0.0 111.353 -176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.2 -53.5 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.773 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -72.71 -31.22 64.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -62.25 -52.02 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.409 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.94 -36.99 83.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.451 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.2 ttm -60.74 -48.63 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -47.02 74.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 23' ' ' LEU . 4.1 mm? -60.56 -46.33 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.35 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.61 89.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.399 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.018 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.91 -47.87 84.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 111.355 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' B' ' 37' ' ' LEU . 60.5 t -57.9 -48.24 84.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.13 0.491 . . . . 0.0 110.733 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -73.96 -29.31 61.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.988 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -69.17 -40.74 77.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.264 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD11 HD13 ' B' ' 23' ' ' LEU . 95.9 mt -68.72 -41.03 79.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 176.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -60.98 -42.68 98.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.663 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.2 -45.19 81.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.237 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -87.24 -5.71 58.84 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.915 -170.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 18.8 tptm -118.37 -34.74 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.874 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.77 127.07 28.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.727 0.299 . . . . 0.0 110.943 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.87 151.8 74.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -49.29 -38.83 28.66 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.62 0.575 . . . . 0.0 112.335 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -56.72 -54.96 40.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.928 0.395 . . . . 0.0 111.585 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 m -89.29 -3.88 58.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.953 0.406 . . . . 0.0 111.068 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG3' HD22 ' A' ' 45' ' ' LEU . 39.2 ttm180 -64.8 -42.25 95.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -68.6 -32.95 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.749 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.72 71.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' HB ' HD21 ' A' ' 45' ' ' LEU . 67.9 t -62.95 -39.37 84.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.471 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.53 90.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.623 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.7 mm-40 -58.43 -48.24 81.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.063 176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.02 -43.57 98.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.57 -46.1 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.382 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.98 98.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.247 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 62.8 mttp -61.88 -48.03 82.31 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.713 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.97 81.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.424 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.91 -54.62 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -63.26 -43.38 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.094 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -55.57 -40.15 71.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -64.51 -52.22 58.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.565 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' B' ' 55' ' ' GLN . 46.9 t -61.59 -33.44 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.899 -175.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 28.0 mtpp -78.26 -36.63 46.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.29 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.6 p -90.77 -21.99 21.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -172.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.59 -22.31 51.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.853 -177.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' B' ' 51' ' ' SER . 10.2 mp -82.74 -32.8 27.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 64.44 -89.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.187 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.9 m80 53.31 -150.2 0.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -171.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -105.24 135.07 47.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.925 0.393 . . . . 0.0 110.271 174.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -82.4 -8.37 59.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.805 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -87.22 132.72 33.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.592 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.686 0.279 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.73 -28.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.449 . . . . 0.0 111.168 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 tt -136.99 146.59 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.185 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.13 151.0 40.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m -62.45 130.84 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.067 0.461 . . . . 0.0 110.418 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.2 -19.71 56.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.383 0.611 . . . . 0.0 110.888 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.95 132.61 49.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.111 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -88.39 164.16 15.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.667 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -58.6 -27.29 64.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.2 m -56.45 -45.4 80.85 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.47 -36.26 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.528 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.81 -47.95 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.404 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.34 -49.51 75.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.385 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -59.59 -46.74 88.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.578 ' O ' HG13 ' B' ' 19' ' ' ILE . 0.5 OUTLIER -56.62 -51.9 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.16 -178.277 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.39 -48.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.567 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.55 -44.75 93.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.482 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.14 -39.86 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.29 . . . . 0.0 111.04 -176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 19' ' ' ILE . 50.7 mt -65.04 -42.98 96.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.06 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.567 HG23 ' O ' ' B' ' 17' ' ' ALA . 61.6 t -60.49 -45.63 96.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 18' ' ' GLU . 75.9 t -61.13 -49.3 85.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.448 0.166 . . . . 0.0 111.446 -178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.684 HD11 HD21 ' B' ' 37' ' ' LEU . 71.8 mt -50.39 -53.31 30.16 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.71 -32.01 67.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 -175.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.15 -37.98 87.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -79.63 -9.64 59.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.829 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 59.72 67.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.791 0.805 . . . . 0.0 109.581 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.91 118.96 65.53 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.085 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.71 161.89 11.65 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.449 2.1 . . . . 0.0 111.091 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 m -57.62 -36.95 72.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.621 0.248 . . . . 0.0 110.583 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.63 -50.49 72.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.287 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.527 HD11 HG22 ' A' ' 12' ' ' VAL . 25.1 tp -72.66 -31.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.648 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.414 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.8 m -62.76 -53.81 48.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.311 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -35.05 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttm -63.51 -49.76 72.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.772 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.96 38.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.684 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -54.61 -46.3 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.481 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.67 -49.96 72.04 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.671 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -65.33 -36.97 85.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.605 0.241 . . . . 0.0 110.704 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 42.1 t -60.8 -51.07 70.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.716 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.8 t -59.74 -44.31 93.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -39.28 88.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 110.513 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.54 -34.75 78.48 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.786 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.2 mt -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.316 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.83 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 58.8 mt -66.89 -44.0 81.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.742 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.74 -41.76 95.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.511 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.6 tpt180 -100.16 -33.76 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -170.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -113.76 -0.45 14.23 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.965 -170.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 30' ' ' THR . 41.5 t -123.78 134.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.27 . . . . 0.0 111.135 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.74 141.65 91.25 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.601 2.201 . . . . 0.0 111.238 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.478 ' HB3' HD21 ' A' ' 73' ' ' LEU . 14.4 m -52.04 -37.93 55.29 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.87 -51.64 57.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -71.01 -26.38 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.321 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 41.0 ttm180 -51.15 -49.84 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.589 0.756 . . . . 0.0 111.614 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.515 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.6 mt-30 -77.64 -27.62 51.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.2 -47.28 62.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.9 m -71.49 -26.69 26.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.465 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.854 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.541 ' O ' ' HD3' ' B' ' 63' ' ' LYS . 51.6 mm-40 -62.12 -55.19 31.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.055 174.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.41 -45.64 93.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.636 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.54 -45.01 94.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.014 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.69 99.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.018 0.437 . . . . 0.0 110.749 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' B' ' 59' ' ' GLU . 0.6 OUTLIER -61.99 -47.46 84.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 176.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.86 90.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.528 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.53 -42.78 99.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.7 98.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -58.35 -41.42 84.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.983 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.6 t -61.86 -50.16 73.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.713 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.7 -38.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -66.62 -22.9 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.885 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -69.97 -26.85 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.854 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.88 -24.4 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.116 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.21 7.85 42.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.731 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 74' ' ' GLU . 9.4 pt-20 -52.29 112.11 0.75 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.825 0.821 . . . . 0.0 111.757 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -165.2 135.43 3.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.601 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -71.44 80.66 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -85.58 84.51 7.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.542 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 9.2 t-160 -112.93 146.1 39.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.051 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 54.0 t60 77.83 106.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.115 0.884 . . . . 0.0 110.427 -176.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.504 175.675 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mtp . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 121.009 0.433 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.82 27.91 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.013 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 tp -91.79 103.4 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.68 0.752 . . . . 0.0 111.145 -175.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -137.47 134.6 35.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.782 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -87.83 106.84 18.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.116 -176.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -137.41 21.82 2.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.344 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -6.59 102.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 O-C-N 125.38 1.675 . . . . 0.0 113.681 172.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.72 156.85 15.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.201 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -31.46 68.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -58.73 -38.51 78.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -70.3 -46.94 63.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.241 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 16' ' ' ILE . 38.8 t -58.97 -47.7 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.212 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.52 -42.26 96.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.675 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 12.5 p -70.07 -35.12 73.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.857 -178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 19' ' ' ILE . 4.7 mp -61.45 -43.91 98.04 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 12' ' ' VAL . 80.9 mt -57.32 -43.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.133 176.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.79 -39.29 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.051 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 14' ' ' SER . 17.9 mm-40 -56.72 -48.18 78.33 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.268 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' B' ' 19' ' ' ILE . 9.1 mt -68.53 -34.4 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.445 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -63.3 -38.54 91.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.425 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ALA . 93.9 t -60.14 -39.87 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.1 t -61.46 -53.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.731 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 37' ' ' LEU . 98.4 mt -53.24 -48.64 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.807 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.78 -28.14 62.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.5 -37.75 70.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.032 0.444 . . . . 0.0 110.662 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -102.81 -0.99 30.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.1 tttp 52.27 56.79 7.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.788 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 124.53 90.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.696 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.91 173.06 5.17 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.618 2.212 . . . . 0.0 111.782 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -58.25 -41.08 83.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.635 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.66 -51.14 70.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' B' ' 12' ' ' VAL . 40.3 tp -73.17 -36.77 66.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.445 -174.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -66.35 -47.39 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.817 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.61 -41.25 89.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.994 0.426 . . . . 0.0 110.336 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 ttm -63.59 -50.7 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.995 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.47 76.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 23' ' ' LEU . 4.0 mm? -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.68 55.52 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.735 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -62.23 -33.03 73.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.29 . . . . 0.0 111.331 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HA ' ' ND1' ' A' ' 43' ' ' HIS . 73.4 m -68.63 -50.03 54.51 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.485 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' B' ' 37' ' ' LEU . 79.0 t -57.75 -45.2 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.568 0.543 . . . . 0.0 110.597 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 11.4 m -63.55 -44.55 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.299 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.718 ' ND1' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -70.0 -31.27 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.691 -173.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 3.5 pp -85.93 -19.43 30.5 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.469 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 9.9 tt -69.34 -36.79 77.26 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 42' ' ' THR . 37.9 mt-10 -75.36 -36.29 60.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.025 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -84.8 -44.98 12.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -170.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -90.34 -20.63 22.66 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.449 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.635 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 55.8 t -110.38 131.03 22.25 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 18.9 Cg_endo -60.59 154.89 51.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.959 2.439 . . . . 0.0 112.09 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 m -54.54 -42.82 71.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.928 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.75 -32.67 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.004 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m -97.08 -7.77 31.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 94.1 mtt180 -59.36 -49.43 77.84 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.553 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.29 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 m -71.75 -24.15 22.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.9 82.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.929 0.395 . . . . 0.0 110.331 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.91 -42.99 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.425 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -59.78 -49.66 76.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.609 0.242 . . . . 0.0 110.489 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.59 79.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.457 . . . . 0.0 110.144 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 2.3 tppp? -62.0 -52.49 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.369 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.12 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.911 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 15.2 tp -61.93 -57.65 10.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.254 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 70' ' ' LYS . . . -58.34 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -65.53 -44.69 86.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.793 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -71.75 -18.96 62.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.096 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 53.7 t -75.76 -44.09 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.595 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 26.8 pttt -84.13 -28.28 27.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.599 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.9 m -81.0 0.96 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.654 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -68.72 -43.21 76.42 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 173.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.6 pt? -98.19 -31.09 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.701 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -71.23 138.39 49.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 178.122 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 25.6 m80 71.0 7.87 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.155 0.582 . . . . 0.0 111.685 -174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' A' ' 77' ' ' HIS . 28.5 m170 -125.89 153.14 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 76' ' ' HIS . 65.3 t60 73.73 -38.46 0.4 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.928 0.491 . . . . 0.0 110.804 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 76' ' ' HIS . 41.2 t-80 -79.27 76.62 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -145.79 153.32 40.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.938 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.244 0.79 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.497 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.8 tpt . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.561 0.22 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.92 -59.89 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.4 pt -85.04 122.37 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.904 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -78.57 -50.33 11.73 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -128.97 -161.54 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -73.19 85.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 65.11 -88.54 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.116 -174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' B' ' 11' ' ' GLN . 31.1 t 173.15 120.47 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -55.81 -45.56 78.26 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.383 0.427 . . . . 0.0 110.03 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.82 -37.64 88.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' B' ' 8' ' ' SER . 24.1 tp60 -62.49 -48.81 77.96 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.515 0.197 . . . . 0.0 110.774 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 32' ' ' LEU . 49.1 t -70.4 -44.11 77.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.77 -52.03 67.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.464 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -67.31 -26.58 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.929 -178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.601 ' O ' HG13 ' B' ' 19' ' ' ILE . 59.4 tp -68.47 -51.19 46.23 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 40' ' ' CYS . 86.7 mt -54.06 -44.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.695 177.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.538 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.8 -41.73 98.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.458 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.65 -39.57 91.54 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.223 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.781 HG23 HG23 ' A' ' 19' ' ' ILE . 53.0 mt -62.88 -39.81 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.114 177.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 43' ' ' HIS . 94.4 mt -63.28 -39.97 96.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.99 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 17' ' ' ALA . 91.4 t -55.36 -47.56 77.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.202 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 22' ' ' VAL . 69.0 t -58.38 -52.57 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.297 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.53 HD11 HD21 ' B' ' 37' ' ' LEU . 96.1 mt -50.1 -48.47 53.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.105 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.67 -22.58 50.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.631 0.253 . . . . 0.0 111.182 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 52.3 mtpt -64.54 -27.71 69.15 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.872 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -99.2 -4.19 32.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.956 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 54.94 65.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.418 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -88.26 128.89 51.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.128 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 32' ' ' LEU . 15.8 Cg_exo -67.59 173.27 9.16 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.714 2.276 . . . . 0.0 111.568 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.8 m -60.65 -38.22 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.646 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -54.86 22.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.926 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 28.8 tp -59.08 -37.04 76.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.489 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.432 ' O ' HD23 ' B' ' 37' ' ' LEU . 6.0 p -67.87 -44.5 76.91 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.875 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.76 -40.06 86.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.664 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.1 mtp -68.07 -53.11 28.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.46 85.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.617 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.5 mm? -66.88 -43.37 83.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.414 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.06 50.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.598 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.408 ' HA ' HD22 ' B' ' 39' ' ' ASN . 10.0 m120 -64.13 -27.02 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.584 0.23 . . . . 0.0 110.916 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 48.8 t -64.61 -44.48 90.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.1 t -60.92 -44.64 98.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.436 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -42.0 97.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 177.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.49 -30.82 71.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 93.8 mt -67.94 -41.53 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.48 -52.03 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.913 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.751 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 7.4 pt-20 -64.05 -29.58 70.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.685 ' HA ' ' HE ' ' B' ' 47' ' ' ARG . 1.6 mmp_? -100.15 -6.07 26.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -117.25 -39.04 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' HB2' ' B' ' 53' ' ' SER . 21.3 t -110.55 140.28 22.4 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 74.3 Cg_exo -51.64 152.94 11.81 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.056 2.504 . . . . 0.0 112.526 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.483 ' HA ' ' CZ ' ' B' ' 54' ' ' ARG . 50.4 m -50.19 -56.54 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -171.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.01 -28.99 61.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.279 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.509 ' HB2' HG12 ' B' ' 49' ' ' VAL . 7.1 m -71.71 -24.87 61.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -177.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.751 ' NE ' ' HA ' ' B' ' 46' ' ' GLU . 78.3 mtt180 -55.24 -37.71 67.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -61.3 -42.15 98.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.964 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.69 83.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.48 -38.74 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.69 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.28 -44.68 94.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.013 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 2.1 mp0 -66.22 -37.97 86.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.865 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -63.45 -45.99 88.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.84 79.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.796 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 60' ' ' GLN . 22.7 mtpp -61.11 -50.15 74.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.961 175.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.13 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.082 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 69' ' ' VAL . 11.7 tp -64.65 -47.06 79.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.991 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.42 88.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.678 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.72 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -36.32 74.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.085 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 65' ' ' LEU . 73.1 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.019 0.438 . . . . 0.0 110.38 174.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.94 -10.14 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.284 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.3 t -76.01 -18.51 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -85.49 -27.86 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.82 7.82 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.609 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.0 147.65 12.1 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.772 176.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -54.84 106.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 110.768 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -73.61 -3.85 30.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.63 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -84.69 2.11 43.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 0.0 110.009 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -74.9 88.92 2.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t60 68.32 132.84 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 124.038 0.836 . . . . 0.0 110.932 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.269 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.63 93.91 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -92.3 4.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.41 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -85.38 174.43 9.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -110.31 -156.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.817 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -59.38 -42.53 91.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -136.19 160.21 39.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.632 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 35.4 t -84.64 137.91 32.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.989 177.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.24 -50.46 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.675 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -67.19 -22.16 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 42.7 tt0 -66.02 -56.93 9.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' B' ' 32' ' ' LEU . 47.1 t -59.58 -38.82 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.788 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -53.86 -49.32 68.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.919 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.6 m -61.72 -38.68 88.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.02 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' O ' HG13 ' A' ' 19' ' ' ILE . 10.9 mp -62.39 -56.89 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.247 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' B' ' 36' ' ' ALA . 67.3 mt -56.28 -42.96 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.38 -46.97 85.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.667 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 27.3 tt0 -72.64 -31.18 64.92 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.13 -176.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' B' ' 19' ' ' ILE . 59.3 mt -63.27 -39.65 86.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.632 0.729 . . . . 0.0 109.242 174.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 84.2 mt -62.33 -39.86 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.041 172.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 17' ' ' ALA . 89.7 t -63.73 -27.18 42.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' B' ' 22' ' ' VAL . 87.0 t -61.72 -53.95 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.163 0.506 . . . . 0.0 109.703 172.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.663 HD11 HD21 ' A' ' 37' ' ' LEU . 86.1 mt -56.39 -46.12 80.25 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.114 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.9 mm-40 -61.69 -40.71 95.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.555 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -55.37 -45.04 76.55 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -88.76 -11.25 45.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.9 ttmp? 54.64 70.29 0.63 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.493 0.663 . . . . 0.0 109.875 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -91.09 132.28 34.69 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 27.5 Cg_exo -63.07 170.24 7.91 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.604 2.203 . . . . 0.0 111.76 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -54.35 -46.85 73.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.535 -176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.9 -51.54 67.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -61.71 -38.4 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.724 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 37' ' ' LEU . 54.4 m -64.7 -53.65 43.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.95 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.32 -39.75 88.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.757 0.313 . . . . 0.0 111.062 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 ttm -63.14 -45.82 90.12 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.23 71.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 23' ' ' LEU . 4.3 mm? -58.9 -45.2 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.518 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.43 87.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.708 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.574 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 34.0 m-80 -65.75 -33.01 74.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 111.104 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' SG ' HG23 ' B' ' 16' ' ' ILE . 79.8 m -66.05 -31.3 72.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.837 -0.165 . . . . 0.0 110.752 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' B' ' 65' ' ' LEU . 48.5 t -71.78 -51.68 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.694 0.283 . . . . 0.0 110.585 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 p -66.93 -40.82 87.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.632 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -60.88 -20.39 61.83 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.044 -178.04 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 65.1 mt -85.72 -41.48 15.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 109.97 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 60.9 mt -60.48 -53.93 51.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.888 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 2.9 mp0 -63.25 -21.11 66.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.197 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 7.4 tpt180 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -173.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -106.09 -38.04 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.22 129.89 24.33 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 120.588 0.233 . . . . 0.0 111.578 -168.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.23 143.22 85.93 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.806 2.337 . . . . 0.0 111.376 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.7 m -52.21 -33.96 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -172.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -72.0 -46.51 56.96 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.448 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' VAL . 16.5 m -74.21 -25.69 59.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.029 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 35.7 ttm180 -57.73 -34.39 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.67 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 51' ' ' SER . 65.3 mt-30 -63.78 -43.93 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.356 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.22 82.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.811 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 53' ' ' SER . 61.2 t -61.88 -41.29 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.354 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.78 99.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.876 0.369 . . . . 0.0 110.699 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -58.15 -48.43 80.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.588 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.3 -34.15 67.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.344 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.48 -51.41 60.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.424 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -31.72 72.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.303 0.573 . . . . 0.0 110.402 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 63' ' ' LYS . 2.2 ttmp? -66.99 -44.55 80.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.31 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.76 81.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.61 -55.96 28.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.053 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.49 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.23 -41.3 88.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.541 ' HB2' HG21 ' B' ' 42' ' ' THR . 18.4 m -66.58 -33.87 76.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.12 0.486 . . . . 0.0 110.463 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.07 -40.64 78.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -56.75 -43.01 80.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.2 t -58.33 -23.19 55.91 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.263 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -87.78 -39.75 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.001 0.429 . . . . 0.0 111.533 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.692 ' HG ' HE21 ' B' ' 55' ' ' GLN . 1.2 tm? -83.14 -37.79 23.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.723 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.23 57.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.317 0.58 . . . . 0.0 110.598 -177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -91.21 16.85 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.869 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -90.33 111.43 22.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -99.11 11.51 38.82 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -166.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -149.7 162.5 40.11 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.714 0.292 . . . . 0.0 110.442 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -97.62 -53.56 3.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 . . . . . 0 C--O 1.243 0.735 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.201 175.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.848 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.27 91.18 2.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.844 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 140.31 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.701 -175.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -134.57 -24.09 1.58 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.57 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m 64.87 47.73 2.58 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.89 -42.32 97.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.141 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -83.58 148.18 27.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.026 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -84.61 142.42 29.96 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.87 -47.5 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.423 . . . . 0.0 110.329 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.3 m -60.15 -41.37 92.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.452 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.75 -51.86 64.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.325 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.95 -47.42 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.49 -20.11 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.543 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -78.05 -36.03 48.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.566 ' O ' HG13 ' B' ' 19' ' ' ILE . 53.8 tp -60.33 -48.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.5 mt -56.21 -41.77 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.79 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.576 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.59 -45.17 81.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.609 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.56 -39.68 94.19 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.752 HG23 HG23 ' A' ' 19' ' ' ILE . 29.4 mt -60.04 -40.75 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.251 0.548 . . . . 0.0 109.776 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 46.7 mt -67.62 -40.11 84.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.773 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 17' ' ' ALA . 94.9 t -57.91 -42.02 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.527 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 22' ' ' VAL . 70.0 t -62.19 -49.98 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.655 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.35 -48.11 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.034 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.37 -44.96 92.66 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.887 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -65.25 -27.65 68.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 111.602 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -90.72 -4.34 56.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.145 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 9.5 mtpm? 54.1 39.56 30.77 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.64 0.587 . . . . 0.0 110.527 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.62 121.73 85.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.063 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.52 171.94 14.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.688 2.258 . . . . 0.0 111.721 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -56.53 -43.71 80.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -61.06 -49.18 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.555 0.217 . . . . 0.0 110.791 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.46 HD11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -62.53 -41.52 98.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.025 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.461 ' O ' HD23 ' B' ' 37' ' ' LEU . 35.1 p -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.044 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.74 -40.51 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.169 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 84.0 mtp -63.94 -41.97 97.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.733 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -68.42 -50.7 50.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.285 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.0 mm? -58.08 -43.27 86.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.265 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.79 71.24 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.842 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 40.9 m-80 -71.07 -29.3 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.738 -0.271 . . . . 0.0 110.923 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.497 ' SG ' HD11 ' A' ' 37' ' ' LEU . 42.4 t -63.83 -49.97 70.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.414 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -61.22 -47.24 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.619 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 68' ' ' SER . 9.2 m -62.97 -36.43 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.356 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -69.59 -26.19 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.961 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 96.3 mt -65.8 -37.56 86.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.36 -37.5 87.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.568 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.52 -33.89 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -95.11 -42.11 8.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -106.75 -6.31 17.89 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -171.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.79 132.61 24.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 0.0 111.408 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.623 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.81 153.79 41.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.993 2.462 . . . . 0.0 111.919 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 17.5 m -53.54 -47.92 69.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -32.92 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.387 . . . . 0.0 111.011 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' B' ' 50' ' ' PRO . 28.2 t -74.22 -17.81 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 -177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.4 mtt180 -60.33 -38.86 85.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.708 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.692 HE21 ' HG ' ' A' ' 73' ' ' LEU . 71.2 mt-30 -67.11 -41.76 85.69 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.474 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.017 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 53' ' ' SER . 49.9 t -68.11 -37.33 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.57 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.73 84.35 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.731 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.08 -45.8 91.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.21 -48.21 81.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.67 -44.5 96.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.329 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.23 89.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.22 -38.28 60.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.971 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.385 0.612 . . . . 0.0 109.978 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.485 HD11 ' HB ' ' A' ' 41' ' ' VAL . 14.4 tp -65.45 -51.27 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.971 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.9 82.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -62.03 -38.17 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -67.86 -30.5 69.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.28 -42.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.047 0.451 . . . . 0.0 109.957 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -67.17 -12.27 59.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.506 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.1 m -67.57 -19.71 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -83.18 -5.07 58.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.9 1.14 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -80.57 172.84 13.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.724 0.773 . . . . 0.0 111.983 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.556 ' CD2' ' H ' ' B' ' 75' ' ' HIS . 3.6 p80 -100.77 -172.17 2.14 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.372 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -59.79 91.93 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.601 0.715 . . . . 0.0 110.6 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -115.77 92.47 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -128.55 -65.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.342 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -88.3 54.37 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.04 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.276 -172.716 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.817 0.342 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.89 -46.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.783 0.325 . . . . 0.0 111.029 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.63 -178.48 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.0 111.929 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -107.48 155.59 19.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -155.14 -91.39 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 6.8 ptpp? -81.04 90.38 5.99 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 166.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 69.52 -162.53 0.17 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.816 -1.083 . . . . 0.0 109.344 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB3' ' HB2' ' A' ' 11' ' ' GLN . 29.5 t -102.94 128.44 49.74 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.19 -32.03 73.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.8 m -67.21 -38.13 84.77 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.49 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 6.0 tp-100 -60.61 -53.47 57.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.212 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 16' ' ' ILE . 60.7 t -57.05 -48.96 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.969 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.38 -45.48 84.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.025 0.44 . . . . 0.0 110.841 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.2 m -65.42 -39.63 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.842 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 19' ' ' ILE . 38.8 tp -62.12 -47.11 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.003 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 12' ' ' VAL . 38.4 mm -55.36 -49.85 69.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 110.478 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.569 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.28 -40.67 90.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.648 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' B' ' 19' ' ' ILE . 69.8 mt -62.76 -42.25 95.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.28 177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.3 mt -65.69 -33.94 77.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.617 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 17' ' ' ALA . 66.0 t -62.05 -33.46 58.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.471 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' B' ' 22' ' ' VAL . 63.9 t -64.29 -51.56 66.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.921 176.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 33' ' ' SER . 96.1 mt -55.41 -43.98 75.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.96 175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.22 -33.23 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.51 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.149 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -92.02 -6.74 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.48 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.32 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.191 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.62 127.23 27.18 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.862 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.8 162.22 19.29 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.443 2.095 . . . . 0.0 111.467 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.5 m -51.91 -39.44 59.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.467 . . . . 0.0 110.614 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.78 -52.93 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.532 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.847 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 23' ' ' LEU . 58.0 m -64.2 -45.5 88.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.664 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.2 mt -58.43 -39.77 80.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.293 176.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.3 mtt -61.84 -57.75 10.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 111.18 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.608 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -74.78 -28.3 60.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.06 -176.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' HD23 ' A' ' 37' ' ' LEU . . . -66.09 -49.47 57.8 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.471 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -66.87 -28.22 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.705 0.288 . . . . 0.0 110.434 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.1 t -61.13 -50.38 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.173 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' B' ' 37' ' ' LEU . 61.2 t -52.11 -53.71 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.308 177.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -39.09 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.076 0.465 . . . . 0.0 111.005 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -67.79 -24.23 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 87.8 mt -68.46 -40.51 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.36 . . . . 0.0 110.145 175.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.04 -38.61 91.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.251 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 24.4 mm-40 -64.84 -21.57 66.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.003 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 9.0 ptp180 -105.76 -50.22 3.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 50.8 mttp -90.69 -10.65 42.32 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -172.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 33.3 t -123.79 133.22 24.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.424 . . . . 0.0 111.465 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.576 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 37.5 Cg_exo -61.69 148.26 93.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.695 2.263 . . . . 0.0 111.12 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -54.5 -42.1 70.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 0.0 111.364 -175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.6 mp0 -58.92 -33.56 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.544 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 m -93.19 -23.3 18.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.672 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.7 mtt180 -54.55 -47.78 72.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.532 ' HG3' ' HG2' ' B' ' 70' ' ' LYS . 46.5 tt0 -62.14 -40.95 97.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.973 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.91 88.06 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.95 -40.1 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.703 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' B' ' 69' ' ' VAL . . . -58.25 -50.25 74.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.396 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -58.4 -43.2 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.998 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.97 -39.98 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.414 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.2 -42.82 99.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.711 0.291 . . . . 0.0 110.253 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.88 -43.54 90.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.32 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 32.2 ttmt -60.68 -51.96 67.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.567 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.95 99.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.565 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.77 -49.18 78.63 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.366 0.603 . . . . 0.0 110.144 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.82 91.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 13.9 mm100 -66.47 -34.11 77.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.558 0.218 . . . . 0.0 111.167 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 t -62.51 -34.4 76.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.7 t -87.51 -42.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.159 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.08 -26.67 66.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.193 -174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 p -70.73 -20.95 62.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -87.29 -8.65 56.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.077 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.92 2.48 20.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.6 -15.58 63.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.579 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -68.22 92.38 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 173.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -170.03 138.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.051 0.453 . . . . 0.0 111.22 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -118.84 120.44 37.33 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -82.62 69.96 9.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -167.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 p80 56.67 148.76 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.79 1.636 . . . . 0.0 114.237 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.7 t60 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 170.493 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.612 0.244 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.59 -41.55 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.81 102.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.092 0.472 . . . . 0.0 110.583 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.902 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -77.47 66.82 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -73.99 -43.48 57.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.288 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -102.58 121.77 43.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.0 t -60.03 134.15 56.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -62.95 -28.71 70.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -69.33 -38.95 78.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.391 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -62.48 -55.41 27.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.543 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 11.4 t -65.01 -39.21 84.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.389 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -54.18 -56.74 15.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.629 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 50.9 m -69.26 -27.22 65.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.274 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.504 ' O ' HG13 ' B' ' 19' ' ' ILE . 32.4 tp -66.46 -43.32 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 84.7 mt -61.2 -41.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.669 174.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.554 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.47 -38.45 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.008 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' B' ' 14' ' ' SER . 22.7 mm-40 -57.21 -49.9 74.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.325 0.583 . . . . 0.0 110.013 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.638 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -63.34 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.552 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.9 mt -61.79 -40.22 94.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.988 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 17' ' ' ALA . 65.0 t -61.01 -42.24 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 22' ' ' VAL . 58.7 t -56.42 -55.82 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.978 0.418 . . . . 0.0 110.61 177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.722 HD11 HD21 ' B' ' 37' ' ' LEU . 62.4 mt -57.12 -47.65 80.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.838 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.97 -29.95 61.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -65.84 -44.17 86.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.046 0.45 . . . . 0.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -77.91 -7.18 56.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 tttp 54.79 58.8 4.52 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.474 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.42 116.31 62.99 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.065 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.96 167.46 7.18 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.634 2.222 . . . . 0.0 111.479 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -50.72 -42.15 56.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.953 0.406 . . . . 0.0 111.307 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.3 -55.56 30.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.497 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -76.42 -34.6 58.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.658 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -67.64 -46.37 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.5 0.19 . . . . 0.0 111.119 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.43 -37.88 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.7 ttm -60.83 -40.98 94.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.318 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.13 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.059 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.722 HD21 HD11 ' B' ' 23' ' ' LEU . 4.4 mm? -59.86 -35.97 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.356 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.22 -38.27 94.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.355 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -82.36 -20.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.568 0.223 . . . . 0.0 111.099 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.2 m -71.74 -50.16 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.652 0.263 . . . . 0.0 110.362 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 37' ' ' LEU . 56.5 t -57.76 -46.12 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.336 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 5.8 p -68.98 -38.58 79.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.821 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.38 -32.46 74.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.598 0.237 . . . . 0.0 110.738 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.32 -43.91 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 0.0 109.94 175.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.729 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 91.0 mt -64.59 -51.0 64.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.214 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.2 mm-40 -63.23 -18.15 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -100.14 -56.33 2.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.519 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -84.29 -42.56 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.91 127.88 41.41 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.125 -171.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.37 148.56 86.06 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.552 2.168 . . . . 0.0 111.243 174.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.476 ' HA ' ' HB3' ' B' ' 54' ' ' ARG . 22.9 t -50.81 -35.27 31.33 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -50.25 -51.48 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.467 0.479 . . . . 0.0 111.22 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m -94.41 -23.14 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.905 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 36.2 ttm180 -52.91 -53.71 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.36 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.486 HE21 ' C ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.72 -33.69 74.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.287 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.12 80.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.227 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.69 -39.2 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.24 -50.38 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.11 -38.78 89.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.544 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.12 -44.51 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.397 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.7 -43.56 98.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.211 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -59.2 -43.98 92.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -66.22 -41.74 89.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.92 77.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 0.0 111.076 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 69' ' ' VAL . 14.4 tp -66.87 -48.26 69.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.987 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -61.29 -42.69 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.903 175.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -54.18 -48.87 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.375 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.0 p -65.76 -34.99 79.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.541 0.21 . . . . 0.0 111.498 -176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.483 HG21 ' HB2' ' A' ' 58' ' ' ALA . 58.0 t -67.5 -46.31 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.483 0.659 . . . . 0.0 110.362 175.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.532 ' HG2' ' HG3' ' A' ' 55' ' ' GLN . 34.4 mtpt -74.96 -1.53 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.884 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 60.5 m -78.11 -7.29 56.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.183 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -21.61 66.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.294 0.569 . . . . 0.0 110.347 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.6 mt -98.61 7.53 46.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.332 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -60.83 137.84 58.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.402 0.144 . . . . 0.0 110.712 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.6 m80 67.47 2.42 2.91 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -99.71 107.17 19.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.833 0.349 . . . . 0.0 110.068 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' B' ' 78' ' ' HIS . 7.1 t-80 -113.87 -97.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.816 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' B' ' 77' ' ' HIS . 40.5 t-80 162.36 -64.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.646 0.778 . . . . 0.0 109.225 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -92.23 146.55 23.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 119.131 -0.461 . . . . 0.0 109.945 178.056 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 178.91 4.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.265 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.46 84.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -150.37 25.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.501 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -80.63 69.97 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.992 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 69.6 -68.29 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.207 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -163.29 170.53 17.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' H ' ' HB3' ' A' ' 11' ' ' GLN . 19.8 m -140.26 175.28 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.029 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.22 -51.04 65.71 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.26 0.35 . . . . 0.0 111.255 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -63.43 -31.13 72.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' SER . 24.7 tp60 -68.7 -45.98 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.186 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.49 -44.68 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.25 -43.99 71.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.84 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -61.98 -40.51 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.6 mp -69.85 -45.83 66.92 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.855 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.4 mt -55.34 -47.38 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 O-C-N 123.24 0.338 . . . . 0.0 110.495 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.8 -38.4 81.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.461 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -68.62 -40.83 80.19 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.058 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' B' ' 19' ' ' ILE . 37.5 mt -65.87 -35.23 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.843 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 78.8 mt -64.2 -35.06 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 17' ' ' ALA . 90.5 t -59.3 -40.94 82.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' B' ' 22' ' ' VAL . 47.7 t -58.63 -56.24 17.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 175.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.4 -44.31 72.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.752 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.78 -29.93 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.241 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -55.79 -43.11 76.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.107 0.48 . . . . 0.0 110.72 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -88.55 -8.69 54.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.884 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 3.9 ttmp? 58.48 59.05 3.11 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.717 0.77 . . . . 0.0 109.328 -174.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.63 124.63 75.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.37 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.53 172.5 13.27 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.62 2.213 . . . . 0.0 111.517 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.46 ' OG1' ' HG3' ' B' ' 48' ' ' LYS . 18.2 m -63.42 -32.55 74.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.003 0.43 . . . . 0.0 110.87 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.69 -52.12 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.127 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 tp -71.32 -33.77 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.349 -175.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.4 p -68.76 -42.95 76.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.54 -41.37 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.35 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.6 tpp -60.71 -46.7 89.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.661 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.66 79.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.646 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 3.4 mm? -56.39 -49.36 74.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.807 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -19.05 58.73 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.078 -177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -95.11 -44.18 7.77 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.667 -0.314 . . . . 0.0 111.155 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 37' ' ' LEU . 27.1 p -67.98 -42.53 80.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.235 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' B' ' 37' ' ' LEU . 62.2 t -60.13 -47.42 92.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.135 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.52 ' OG1' HD22 ' B' ' 65' ' ' LEU . 4.3 m -75.82 -20.3 58.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.494 -174.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -74.12 -39.66 63.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.8 -37.27 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.273 0.559 . . . . 0.0 109.721 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.655 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 6.4 tt -66.62 -24.24 66.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.328 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.77 -45.06 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -81.77 -39.61 23.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.277 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -100.39 -0.32 38.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.832 -170.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.655 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 63.5 t -123.72 130.94 24.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.295 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 10.0 Cg_endo -54.58 149.91 37.46 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.927 2.418 . . . . 0.0 112.403 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.8 p -49.22 -56.78 8.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.914 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.22 -36.81 85.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 9.3 t -75.25 -19.38 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 -174.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 96.8 mtt180 -53.59 -43.29 68.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.212 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 46.5 mt-30 -59.73 -52.84 63.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.646 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.96 96.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.123 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.27 -48.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.884 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.2 95.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.008 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 45.9 mt-10 -61.47 -49.23 77.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.666 0.27 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -63.66 -46.93 83.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.66 -47.28 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -63.9 -39.36 94.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -67.28 -40.15 86.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.39 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.97 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.477 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.1 tp -61.09 -55.74 29.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.272 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.93 71.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.56 -46.12 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.489 ' HA ' ' OG ' ' A' ' 71' ' ' SER . 13.2 p -67.26 -23.9 65.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.378 -176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 65' ' ' LEU . 58.9 t -72.43 -28.68 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.145 0.497 . . . . 0.0 110.167 173.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -90.19 -33.47 16.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.489 ' OG ' ' HA ' ' A' ' 68' ' ' SER . 19.4 p -74.96 -1.08 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.411 . . . . 0.0 111.829 -177.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -94.2 -4.13 49.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.219 0.533 . . . . 0.0 110.256 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.66 -17.44 51.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.292 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 71' ' ' SER . 10.6 pt-20 -77.81 141.14 39.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.18 112.99 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -86.37 51.02 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.33 0.586 . . . . 0.0 110.994 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -124.67 156.95 36.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.379 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -81.04 112.19 18.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -80.49 116.14 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.033 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.314 -177.812 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.7 mtt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.446 0.165 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.59 6.37 4.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 3' ' ' ILE . 22.9 pt -109.19 94.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.661 0.743 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -105.43 -48.31 3.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.3 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -81.77 90.78 6.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.828 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -151.59 4.14 0.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.979 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 57.43 -166.41 0.14 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.612 170.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.64 132.8 36.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -58.21 -36.15 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.081 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 12.6 m -63.01 -35.36 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -75.93 -49.11 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.457 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -41.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.044 0.449 . . . . 0.0 110.069 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.82 -47.33 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.758 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -61.82 -37.28 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.601 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.511 ' O ' HG13 ' B' ' 19' ' ' ILE . 8.8 mp -62.01 -61.14 2.69 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.246 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -53.8 -39.99 41.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.762 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -56.16 -60.28 3.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.715 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.15 -33.93 75.39 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.553 -173.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.666 HG23 HG23 ' A' ' 19' ' ' ILE . 73.5 mt -61.52 -45.2 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.031 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.8 -35.92 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.615 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 17' ' ' ALA . 32.8 t -55.97 -48.02 79.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.757 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 22' ' ' VAL . 79.4 t -60.36 -47.25 93.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.068 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.747 HD11 HD21 ' B' ' 37' ' ' LEU . 58.0 mt -63.76 -44.07 94.57 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.25 -32.24 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.7 -35.8 77.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.83 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 37.1 m170 -72.49 -28.03 62.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.08 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 53.81 44.46 29.52 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 122.07 0.938 . . . . 0.0 108.667 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 143.15 82.11 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.407 -1.269 . . . . 0.0 111.261 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -58.54 158.89 21.74 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.859 2.373 . . . . 0.0 111.579 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m -61.42 -35.85 78.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.736 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.15 -52.99 62.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.502 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.37 -30.03 69.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.492 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.481 ' O ' HD23 ' B' ' 37' ' ' LEU . 18.4 m -66.5 -55.67 14.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.408 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.07 -37.72 88.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.91 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -65.07 -46.13 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.421 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.4 69.95 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.857 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.747 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.32 -39.47 93.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.332 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -48.67 78.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 35.4 m-80 -64.07 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.971 0.415 . . . . 0.0 110.653 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -67.43 -32.47 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.871 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 37' ' ' LEU . 41.3 t -69.46 -50.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.903 0.382 . . . . 0.0 110.249 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 11.6 p -67.28 -38.91 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.869 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.2 OUTLIER -63.95 -16.33 61.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -177.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.96 -45.58 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.362 . . . . 0.0 110.172 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 78.8 mt -59.93 -48.65 80.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -75.77 -2.27 29.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.798 0.332 . . . . 0.0 111.56 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -101.05 -49.75 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.559 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.46 ' HG3' ' OG1' ' A' ' 30' ' ' THR . 31.3 mmmt -117.7 6.28 12.38 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 38.7 t -123.58 130.97 24.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.445 0.164 . . . . 0.0 110.803 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.619 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 17.8 Cg_endo -61.12 153.09 67.12 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.862 2.375 . . . . 0.0 111.874 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -53.12 -38.99 63.11 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.86 -50.6 70.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.252 0.549 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 13.0 m -75.2 -21.52 58.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.53 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 97.8 mtt180 -53.02 -49.06 67.02 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.72 0.295 . . . . 0.0 110.722 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -71.07 -39.04 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.89 87.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.863 0.363 . . . . 0.0 111.332 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.22 -37.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.075 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.46 -32.25 71.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.598 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 50.9 t80 -59.72 -49.16 78.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.869 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -60.5 -42.49 96.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.928 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.12 -37.24 86.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.073 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.24 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.957 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 42' ' ' THR . 3.8 mt -63.52 -51.24 66.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.218 0.532 . . . . 0.0 109.642 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.41 83.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.493 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' B' ' 71' ' ' SER . 35.0 tt0 -62.93 -42.68 99.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.738 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -64.92 -26.85 68.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.358 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -95.69 -52.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 111.284 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -79.25 -37.45 37.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -169.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 67' ' ' GLN . 47.0 t -69.74 -7.42 39.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.738 0.304 . . . . 0.0 111.338 -176.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -79.8 -48.31 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.2 -27.13 35.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.904 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -70.45 150.97 45.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.138 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -126.06 174.65 8.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.051 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' B' ' 77' ' ' HIS . 57.4 m-70 -73.28 78.68 1.32 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.919 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 76' ' ' HIS . 82.5 t60 175.41 126.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.707 174.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -95.51 -174.64 3.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -68.2 -43.28 78.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.993 172.318 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.93 0.395 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.81 138.67 45.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.67 -45.86 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.021 0.438 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -87.93 108.2 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.158 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -73.99 -176.78 2.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.353 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.487 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 46.6 mtpt -57.1 -57.51 12.28 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.533 0.682 . . . . 0.0 110.388 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.7 165.32 36.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.666 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 t -82.69 134.65 35.15 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.803 0.335 . . . . 0.0 110.303 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -76.61 -35.44 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.817 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.7 -45.58 93.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.41 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 HD11 ' B' ' 32' ' ' LEU . 39.8 t -60.29 -45.63 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.38 -47.76 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.777 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 t -61.56 -38.26 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.656 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.3 tp -63.23 -51.32 66.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.443 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 19' ' ' ILE . 74.2 mt -59.21 -40.67 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.66 -46.21 81.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.846 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.37 -41.58 97.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' B' ' 19' ' ' ILE . 47.4 mt -61.95 -44.61 99.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.359 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.54 -40.85 96.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.821 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 17' ' ' ALA . 64.0 t -65.26 -33.73 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' B' ' 22' ' ' VAL . 54.5 t -64.44 -44.33 97.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.314 . . . . 0.0 110.481 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.9 -34.02 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.933 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 11.1 tp10 -61.07 -44.38 97.47 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.791 0.329 . . . . 0.0 110.392 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 21' ' ' VAL . 61.1 mttm -61.58 -24.02 66.38 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.274 0.559 . . . . 0.0 110.586 176.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' ND1' ' HG ' ' B' ' 15' ' ' LEU . 57.1 m170 -84.86 -30.87 24.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.548 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 57.4 40.66 27.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.632 0.729 . . . . 0.0 109.966 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -78.44 137.29 59.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.676 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 18.4 Cg_exo -67.01 167.72 19.15 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.216 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -51.08 -40.31 58.09 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.491 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 35' ' ' MET . 4.8 m-20 -55.23 -66.1 0.47 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.124 0.488 . . . . 0.0 110.911 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' B' ' 7' ' ' TYR . 38.2 tp -62.54 -30.09 71.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.284 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 37' ' ' LEU . 23.2 t -63.06 -51.36 67.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.263 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.73 -38.05 89.66 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.456 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 91.8 mmm -61.08 -41.87 97.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.527 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.22 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -57.02 -48.51 78.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.44 -37.15 87.34 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.191 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -78.05 -46.54 20.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.59 -0.359 . . . . 0.0 111.656 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.1 p -66.08 -38.29 87.92 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.215 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG22 ' HB3' ' B' ' 37' ' ' LEU . 97.4 t -63.47 -48.19 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.133 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.504 ' OG1' ' HG ' ' B' ' 65' ' ' LEU . 42.9 m -63.14 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.646 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.55 -28.02 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 96.9 mt -63.91 -59.34 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.691 0.281 . . . . 0.0 110.897 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.742 ' H ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.5 -7.46 57.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 111.174 -178.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -38.57 36.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.157 0.503 . . . . 0.0 110.362 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -97.71 -19.84 17.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.196 -172.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -115.77 -7.3 12.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 59.2 t -123.34 129.0 25.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.791 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.94 150.47 37.78 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.153 2.569 . . . . 0.0 111.908 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -39.81 72.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -60.13 -36.47 77.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 57' ' ' VAL . 49.1 m -97.45 -15.43 20.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.129 0.49 . . . . 0.0 110.876 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG2' HG13 ' B' ' 69' ' ' VAL . 33.3 ttm180 -57.58 -39.81 77.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.216 178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.09 -38.36 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.586 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.21 65.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.547 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 53' ' ' SER . 98.7 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.292 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.16 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.947 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.9 -49.94 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.56 -35.2 80.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.59 -44.12 75.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.164 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.99 -44.55 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.36 -46.43 88.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.56 88.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -61.01 -50.79 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.341 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.38 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.397 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.43 -32.69 73.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.468 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -66.42 -37.72 85.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.377 . . . . 0.0 110.333 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.65 -40.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.036 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -62.74 -27.27 69.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 56.3 m -64.83 -24.84 67.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.189 0.519 . . . . 0.0 110.439 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -72.62 -32.96 66.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.184 0.516 . . . . 0.0 109.725 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' B' ' 51' ' ' SER . 3.9 mm? -86.37 -49.3 7.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' CD ' ' HD1' ' A' ' 76' ' ' HIS . 9.3 tp10 -117.52 112.2 20.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.107 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' SER . 6.1 p-80 -152.57 29.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.17 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.433 ' HD1' ' CD ' ' A' ' 74' ' ' GLU . 39.9 p-80 -53.73 116.9 2.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.507 0.67 . . . . 0.0 111.033 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -124.5 81.49 1.95 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.429 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -91.38 -16.69 27.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -81.72 96.02 7.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.806 174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.954 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.512 0.196 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.12 33.1 22.65 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.323 0.582 . . . . 0.0 110.218 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.69 130.42 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.609 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.411 ' HB3' ' H ' ' B' ' 5' ' ' SER . 18.2 tt0 -166.53 -93.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.912 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.411 ' H ' ' HB3' ' B' ' 4' ' ' GLN . 69.9 m -163.47 122.84 2.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -91.83 -8.41 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 177.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.404 ' CD1' HD13 ' A' ' 32' ' ' LEU . 97.1 m-85 -127.51 93.68 3.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.809 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -58.25 139.5 54.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.676 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.194 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.26 -56.01 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.048 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 16' ' ' ILE . 50.7 t -60.52 -43.97 95.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.611 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.68 -43.19 89.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 35.4 t -62.64 -39.56 94.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.33 . . . . 0.0 110.43 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.635 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.8 mp -63.69 -49.27 73.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.265 176.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 12' ' ' VAL . 37.1 mm -54.74 -48.81 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.528 0.518 . . . . 0.0 110.894 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.565 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -54.56 -49.06 71.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.465 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 31.6 mt-10 -65.56 -34.24 77.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.701 HG23 HG23 ' A' ' 19' ' ' ILE . 21.2 mt -69.79 -38.23 75.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.397 0.618 . . . . 0.0 109.769 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 87.4 mt -67.96 -33.19 74.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.768 175.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 17' ' ' ALA . 54.1 t -61.18 -37.42 77.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.298 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 22' ' ' VAL . 76.7 t -59.69 -53.76 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.174 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.01 -52.13 46.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.373 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.97 -37.77 88.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.84 -22.75 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.987 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -106.03 6.46 31.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.62 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.41 45.1 23.32 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 111.312 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.55 120.43 74.15 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.03 171.13 7.93 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.642 2.228 . . . . 0.0 111.569 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -57.92 -38.29 75.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.78 -52.78 64.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.826 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.577 HD11 HG22 ' A' ' 12' ' ' VAL . 28.7 tp -69.41 -30.79 68.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.692 -176.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -53.19 58.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.63 -39.16 87.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 110.533 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.76 -51.76 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.21 70.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.698 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mm? -63.47 -36.6 84.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.032 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.34 -51.45 57.97 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.089 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.53 -31.24 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 53.9 t -61.83 -46.19 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 37' ' ' LEU . 52.1 t -61.3 -50.51 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.73 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -38.28 81.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.019 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.88 -37.24 84.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 97.6 mt -66.97 -48.87 67.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.72 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 75.0 mt -61.7 -38.58 88.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.081 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.23 -35.47 77.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.074 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.64 -42.7 9.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.595 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 48' ' ' LYS . 63.9 mmtt -82.98 -43.76 16.03 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.54 130.45 23.23 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.31 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.15 148.4 40.34 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.047 2.498 . . . . 0.0 112.2 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.517 ' HB3' HD11 ' A' ' 73' ' ' LEU . 21.7 m -47.25 -44.42 22.87 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -171.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.1 pm0 -69.26 -44.31 72.16 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.207 -0.308 . . . . 0.0 111.028 -176.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 57' ' ' VAL . 23.8 t -74.56 -28.53 60.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 31.1 ttm180 -54.08 -45.44 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.197 175.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -68.14 -39.18 82.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.9 86.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 53' ' ' SER . 65.8 t -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.334 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.18 96.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -57.67 -46.85 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.342 0.591 . . . . 0.0 110.699 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -77.41 -30.0 53.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.986 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.72 -51.67 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.094 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -61.59 -34.12 75.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -69.02 -37.96 78.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.891 178.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.61 95.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.504 ' HG ' ' OG1' ' A' ' 42' ' ' THR . 9.8 mp -63.1 -48.79 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.585 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.7 89.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.3 -38.69 88.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.9 t -62.48 -47.27 84.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.428 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 54' ' ' ARG . 94.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -71.45 -26.2 62.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.998 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -77.71 -19.56 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.699 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.87 -21.73 64.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.101 0.477 . . . . 0.0 109.872 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.06 -0.83 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.235 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.65 -50.66 62.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -92.12 101.25 13.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.376 0.608 . . . . 0.0 109.717 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -118.51 108.26 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.491 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -97.5 33.86 1.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.471 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' B' ' 80' ' ' HIS . 7.4 t60 68.86 -12.09 0.4 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.384 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 64.71 24.6 12.93 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.57 0.7 . . . . 0.0 109.265 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.414 ' HB3' ' CD2' ' B' ' 78' ' ' HIS . 77.7 t60 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.609 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.622 0.249 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.29 -80.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.88 125.99 61.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.372 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 68.13 -76.82 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.678 0.611 . . . . 0.0 110.326 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m 61.19 -86.26 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.328 0.651 . . . . 0.0 111.813 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -130.35 10.12 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.431 . . . . 0.0 111.015 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -142.91 -174.75 4.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.922 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.2 t -127.74 128.36 45.23 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.39 -43.41 83.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.85 0.357 . . . . 0.0 110.186 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 m -60.19 -43.27 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.655 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -62.37 -49.16 76.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.678 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.9 t -58.82 -47.76 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.429 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.4 -42.38 95.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.318 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.5 t -62.84 -39.24 93.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 19' ' ' ILE . 6.8 mp -67.15 -41.71 85.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.801 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 12' ' ' VAL . 83.7 mt -57.37 -47.48 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.6 -35.61 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.279 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.13 -49.08 66.08 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 110.28 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' B' ' 19' ' ' ILE . 51.0 mt -60.3 -37.44 73.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.77 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 76.3 mt -63.32 -40.55 97.62 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.14 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 17' ' ' ALA . 83.0 t -56.41 -44.11 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.92 0.39 . . . . 0.0 110.601 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' B' ' 22' ' ' VAL . 67.9 t -59.01 -46.13 91.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.489 HD11 HD21 ' A' ' 37' ' ' LEU . 95.2 mt -62.82 -41.6 99.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.688 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 45.1 mt-10 -59.71 -39.26 84.03 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.635 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -59.47 -29.13 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.658 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.515 ' CE1' ' HG ' ' B' ' 15' ' ' LEU . 28.9 m170 -83.43 -29.4 28.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.879 -177.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt 56.27 46.27 21.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.619 0.723 . . . . 0.0 109.224 -170.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -77.75 136.44 63.09 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.107 -176.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 22.1 Cg_exo -65.83 164.11 28.22 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.736 2.291 . . . . 0.0 111.741 177.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.62 -37.69 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.328 0.585 . . . . 0.0 111.074 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.6 -45.58 86.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.575 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -75.21 -37.9 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.166 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.402 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.1 p -64.51 -48.04 76.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.865 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.45 -38.24 80.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.897 0.379 . . . . 0.0 110.594 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.19 -46.88 82.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.857 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' B' ' 41' ' ' VAL . 3.9 mm? -58.8 -44.75 90.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.989 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -48.44 83.95 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.478 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.91 -37.71 88.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.1 t -61.36 -53.42 56.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' B' ' 37' ' ' LEU . 84.5 t -57.87 -45.29 87.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 m -62.92 -39.85 95.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -72.95 -28.69 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' CYS . 97.4 mt -68.9 -44.9 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 173.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.37 -25.78 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.386 177.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -72.45 -49.29 34.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -90.55 -42.04 11.04 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -169.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.82 -7.06 47.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 46.5 t -123.42 124.57 26.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.613 0.244 . . . . 0.0 110.915 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.08 150.0 86.42 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.031 2.487 . . . . 0.0 112.009 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 p -49.77 -43.61 48.25 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.15 -47.81 71.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -90.3 -12.27 38.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.385 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -61.58 -39.79 92.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.433 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HA ' HG11 ' B' ' 69' ' ' VAL . 34.4 tt0 -77.26 -35.48 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.25 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.552 ' HB ' HD21 ' A' ' 45' ' ' LEU . 90.3 t -66.87 -36.33 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.04 79.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.3 -53.96 52.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.016 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.95 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.341 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.27 -46.68 87.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -60.19 -40.83 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.119 0.485 . . . . 0.0 111.3 -177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -75.71 -35.81 60.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.733 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.5 -36.16 82.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.37 -49.9 76.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.177 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.46 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.025 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.45 -30.59 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 m -66.27 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.238 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.21 -29.95 38.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.573 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.466 ' HA ' HD13 ' A' ' 73' ' ' LEU . 32.2 mmtp -66.03 -7.85 19.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.261 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -60.41 -30.71 69.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.015 0.435 . . . . 0.0 110.845 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.406 HD21 ' CD ' ' B' ' 46' ' ' GLU . 41.6 m-80 -76.05 -41.41 50.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.577 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 70' ' ' LYS . 6.4 mp -70.1 -60.13 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.339 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.8 88.8 4.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.258 0.551 . . . . 0.0 111.251 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -104.5 17.23 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.689 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 71.52 -68.27 0.23 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.964 -1.016 . . . . 0.0 112.205 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 65.63 -78.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.124 0.57 . . . . 0.0 110.186 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -173.56 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 74.22 -63.24 0.43 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.257 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.634 -0.698 . . . . 0.0 109.204 177.619 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.547 0.213 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 176.73 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mm -83.67 55.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.232 0.539 . . . . 0.0 110.763 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 14.5 mm-40 62.68 4.32 1.38 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 172.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m 57.94 84.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.207 0.317 . . . . 0.0 110.742 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.45 -38.18 66.03 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -115.21 121.24 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.367 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -56.02 139.84 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -60.07 -35.03 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -70.99 -22.62 62.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -76.18 -52.39 10.16 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.61 -46.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.244 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.9 -43.62 98.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.451 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 35.7 t -56.21 -51.79 66.77 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.55 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.608 ' O ' HG13 ' B' ' 19' ' ' ILE . 9.9 mp -57.56 -54.01 51.7 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 87.6 mt -54.74 -47.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -64.57 -43.12 94.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.282 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 12.8 pt-20 -77.84 -22.83 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.263 -173.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.631 HG23 HG23 ' A' ' 19' ' ' ILE . 65.3 mt -73.79 -34.89 41.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.6 mt -64.39 -37.0 85.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.933 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 17' ' ' ALA . 69.5 t -58.05 -40.2 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.404 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 22' ' ' VAL . 45.0 t -55.03 -56.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.23 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.675 HD11 HD21 ' B' ' 37' ' ' LEU . 94.9 mt -57.1 -51.91 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.404 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.09 -28.69 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -68.81 -27.34 65.77 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.981 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -110.06 6.17 22.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 110.004 170.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tttp 44.13 43.93 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.975 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 127.8 3.03 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.826 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.56 168.36 4.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.304 2.669 . . . . 0.0 112.703 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -58.24 -51.93 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.555 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.95 -50.42 73.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.74 -38.76 82.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.927 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.422 ' O ' HD23 ' B' ' 37' ' ' LEU . 50.2 m -61.68 -49.79 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.426 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.17 -39.19 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 91.8 mtp -64.49 -51.07 64.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.43 76.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.04 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.675 HD21 HD11 ' B' ' 23' ' ' LEU . 4.6 mm? -64.3 -44.34 91.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.368 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.55 -47.02 92.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.437 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.04 -29.33 67.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.568 0.223 . . . . 0.0 110.673 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -69.44 -46.44 66.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.719 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 37' ' ' LEU . 80.3 t -58.22 -45.01 89.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.005 0.431 . . . . 0.0 110.238 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.8 m -66.31 -39.55 89.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.456 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -58.42 -37.83 76.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.128 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 95.8 mt -64.01 -47.24 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.797 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 84.6 mt -62.38 -41.92 99.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.46 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 42' ' ' THR . 8.5 mm-40 -57.94 -52.64 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -102.11 6.07 40.73 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -169.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' B' ' 44' ' ' LEU . 72.9 mmtt -120.14 -50.34 2.26 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.938 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 t -97.08 133.05 24.6 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.865 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.39 141.71 89.21 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.748 2.299 . . . . 0.0 111.046 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -49.53 -39.02 32.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.966 0.506 . . . . 0.0 112.338 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 1.5 mp0 -59.58 -51.49 69.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.446 ' O ' HG23 ' B' ' 57' ' ' VAL . 20.5 t -77.99 -27.07 48.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.211 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.797 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 37.1 ttm180 -53.21 -49.61 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.09 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.14 -44.22 97.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.323 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.44 97.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.824 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 53' ' ' SER . 96.7 t -65.41 -44.85 94.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.345 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.12 82.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.04 -36.96 78.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.255 0.55 . . . . 0.0 110.158 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.56 -46.56 82.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.285 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 62' ' ' ALA . . . -58.04 -41.83 84.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.49 -52.11 65.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.72 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.46 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.05 -54.34 47.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.125 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -63.86 -39.19 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.386 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.14 -39.38 82.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.583 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.1 m -65.12 -39.55 93.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.362 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.501 HG11 ' HA ' ' A' ' 55' ' ' GLN . 49.1 t -71.99 -34.87 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.855 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 68.5 mttm -61.7 -43.05 99.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.743 177.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' B' ' 74' ' ' GLU . 7.4 t -72.1 -7.64 50.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 69' ' ' VAL . 7.4 t30 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.495 0.664 . . . . 0.0 109.338 172.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.73 -52.04 3.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.535 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' B' ' 71' ' ' SER . 38.8 mt-10 -81.41 102.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.616 176.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -81.96 -162.32 0.53 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.133 -174.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -57.53 126.92 29.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.837 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.79 -66.34 0.56 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.979 -171.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -118.1 123.55 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.907 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -133.86 -42.66 0.82 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.482 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.451 -179.489 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mtm . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.733 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -118.14 130.59 56.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.951 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -88.65 -68.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -105.5 -3.37 22.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.733 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 2.9 m -76.08 84.95 2.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.723 -177.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -73.03 -34.8 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -133.44 163.35 29.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.453 -176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p -87.36 145.99 26.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -61.05 -31.76 71.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.924 0.392 . . . . 0.0 110.357 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -60.56 -44.59 95.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.708 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -66.0 -44.95 83.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.779 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.1 -48.37 84.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.17 -38.11 78.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -62.17 -43.98 97.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.779 0.323 . . . . 0.0 110.589 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.9 tt -60.71 -47.51 85.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.683 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' SG ' ' B' ' 40' ' ' CYS . 78.3 mt -59.13 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -59.17 -39.99 84.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.66 -47.99 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.153 0.502 . . . . 0.0 110.336 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' LEU . 8.0 mt -64.59 -37.04 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.325 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 89.1 mt -66.12 -36.75 83.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.939 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 73.7 t -59.08 -44.11 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.352 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' B' ' 22' ' ' VAL . 87.6 t -63.81 -35.15 72.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.157 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.78 -41.13 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -66.45 -34.23 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.211 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 71.0 mmtt -58.15 -43.27 87.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.541 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -99.82 -14.21 18.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp 56.72 71.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.36 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.81 124.14 69.54 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.361 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.02 171.08 6.57 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.433 2.089 . . . . 0.0 111.784 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.7 m -53.91 -43.69 69.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 0.0 110.96 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.1 -51.15 70.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.82 -38.73 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.774 -176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m -63.02 -45.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.086 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 30' ' ' THR . 94.0 mt -60.81 -41.11 95.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 0.0 110.74 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.51 -45.64 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.997 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.2 mm? -59.6 -50.24 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.98 -45.47 95.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.842 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.39 -34.88 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 0.162 . . . . 0.0 111.064 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 47.0 t -68.23 -35.06 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.659 0.266 . . . . 0.0 110.574 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 67.9 t -63.68 -48.79 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -63.6 -38.83 92.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.373 0.606 . . . . 0.0 109.937 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' ND1' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t-80 -48.54 -54.16 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.442 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.633 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 6.8 mt -72.83 -26.13 61.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.522 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 49' ' ' VAL . 88.2 mt -65.95 -44.83 83.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.915 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -79.46 -8.46 59.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.562 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -107.77 -52.04 2.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -115.64 13.14 16.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 45' ' ' LEU . 50.3 t -123.63 131.58 24.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 Cg_endo -50.55 145.36 22.58 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.119 2.546 . . . . 0.0 112.106 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 m -51.29 -56.63 11.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -169.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.62 -13.97 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.892 0.377 . . . . 0.0 111.411 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.471 ' HB3' ' HG2' ' A' ' 50' ' ' PRO . 45.7 t -86.27 -24.04 26.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.12 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 98.6 mtt180 -53.97 -48.16 70.62 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.881 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -38.33 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.976 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . -62.28 -52.16 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.692 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.7 -38.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.38 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.18 83.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 75.0 mm-40 -60.89 -49.75 76.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 23.9 mt-30 -58.39 -52.74 64.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.13 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -61.42 -44.78 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.29 97.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 59' ' ' GLU . 37.4 mttm -74.37 -35.22 63.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.604 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.09 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.584 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.32 -49.28 74.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.553 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.34 93.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.935 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 6.3 tp60 -65.23 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.78 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -64.74 -35.36 80.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.834 0.35 . . . . 0.0 110.282 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' ASN . 88.5 t -77.01 -42.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.575 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.46 -42.65 92.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.445 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 44.5 m -80.75 -4.39 54.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.814 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 3.9 t-20 -73.32 -37.99 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' B' ' 51' ' ' SER . 98.2 mt -94.3 -57.1 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.842 175.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 71' ' ' SER . 0.0 OUTLIER 47.77 54.54 9.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.704 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.06 125.47 23.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.29 128.72 10.01 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.483 0.49 . . . . 0.0 111.37 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -55.19 -65.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.659 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 70.87 -58.1 0.58 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.691 0.619 . . . . 0.0 112.324 171.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -87.06 134.92 33.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.709 0.29 . . . . 0.0 110.513 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.1 t60 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.916 -0.564 . . . . 0.0 109.996 179.057 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.987 0.422 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 98.45 11.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 tt -82.8 135.0 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -78.89 119.99 22.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.321 0.581 . . . . 0.0 110.736 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -81.35 149.59 28.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.318 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -63.81 -57.97 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.071 0.462 . . . . 0.0 109.84 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -86.42 89.68 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 170.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -79.23 144.97 33.85 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.444 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.53 -25.57 68.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.27 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -63.72 -38.7 92.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.26 0.552 . . . . 0.0 110.181 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.63 -50.13 59.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.363 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.424 ' O ' HG13 ' B' ' 16' ' ' ILE . 25.8 t -62.76 -43.05 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.13 -45.11 79.68 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -62.27 -41.01 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 tp -65.25 -45.29 85.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.369 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.44 HG22 HD22 ' B' ' 20' ' ' LEU . 88.0 mt -61.06 -43.57 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.658 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.602 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -58.0 -41.68 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.89 -45.71 73.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 9.4 pt -70.27 -29.97 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.885 0.374 . . . . 0.0 110.709 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.44 HD22 HG22 ' B' ' 16' ' ' ILE . 5.6 mp -69.4 -39.32 78.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 176.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 17' ' ' ALA . 70.0 t -56.46 -44.68 80.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.458 HG21 HG21 ' A' ' 22' ' ' VAL . 61.9 t -60.13 -53.05 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.4 ' HA ' ' ND1' ' B' ' 26' ' ' HIS . 94.7 mt -60.03 -43.02 95.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.7 -16.95 60.09 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.588 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' B' ' 21' ' ' VAL . 93.9 mttt -72.88 -15.53 61.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.222 0.534 . . . . 0.0 109.764 169.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.435 ' CE1' HG12 ' B' ' 22' ' ' VAL . 13.4 m170 -92.32 -22.99 19.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.813 173.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.5 tttt 50.56 62.38 2.72 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.113 -165.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HA ' ' HD2' ' B' ' 29' ' ' PRO . . . -76.52 118.23 70.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.816 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 36.9 Cg_endo -66.19 164.05 29.37 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.603 2.202 . . . . 0.0 110.932 175.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -44.37 48.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.395 0.434 . . . . 0.0 111.645 -176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.31 -58.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.937 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.39 -30.98 66.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -71.55 -48.6 47.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.684 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.19 -34.73 77.0 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.2 tpp -59.93 -51.17 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.515 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.28 72.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 41' ' ' VAL . 4.4 mm? -59.96 -47.14 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.376 -178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.53 -43.01 96.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.099 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.58 ' O ' ' HB3' ' B' ' 43' ' ' HIS . 30.6 m-80 -69.01 -31.22 69.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.587 0.232 . . . . 0.0 111.281 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 16' ' ' ILE . 76.6 m -70.34 -33.06 71.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.538 0.209 . . . . 0.0 110.756 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 37' ' ' LEU . 58.1 t -68.02 -47.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.844 0.354 . . . . 0.0 110.366 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -69.19 -37.25 78.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 110.761 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' B' ' 39' ' ' ASN . 0.0 OUTLIER -54.13 -30.66 49.81 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.309 177.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.403 ' HG ' ' CE1' ' B' ' 43' ' ' HIS . 66.9 mt -85.98 -44.61 12.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 110.64 178.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 35.3 mt -61.72 -35.51 78.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.24 -178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.87 -38.21 19.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -39.12 17.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' B' ' 48' ' ' LYS . 10.4 mmpt? -98.46 -37.52 9.56 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.784 -173.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 26.9 t -96.26 131.3 28.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.726 0.298 . . . . 0.0 111.03 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.518 ' HB2' ' OE1' ' B' ' 52' ' ' GLU . 22.1 Cg_exo -65.28 150.29 87.52 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 111.435 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.507 ' HB3' HD21 ' A' ' 73' ' ' LEU . 3.5 m -54.39 -40.26 68.04 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -170.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.584 ' H ' ' CD ' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -66.28 -50.09 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.425 0.631 . . . . 0.0 110.004 -178.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.422 ' O ' HG23 ' B' ' 57' ' ' VAL . 9.8 m -70.74 -25.49 62.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' B' ' 51' ' ' SER . 37.7 ttm180 -57.53 -44.43 85.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.811 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.93 -42.81 89.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.959 0.409 . . . . 0.0 110.712 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.65 -45.77 88.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.12 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 53' ' ' SER . 97.4 t -66.85 -40.95 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.798 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.87 -37.11 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.148 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.66 -39.56 84.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.513 . . . . 0.0 109.939 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.88 -46.43 89.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.15 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.88 79.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -60.24 -57.23 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.922 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.79 -40.07 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 0.0 111.246 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.33 -62.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.585 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' B' ' 70' ' ' LYS . . . -66.38 -32.38 73.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.838 -173.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -70.57 -34.75 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.539 0.209 . . . . 0.0 110.437 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 69.4 m -64.67 -38.52 91.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.18 -42.06 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.925 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' ' 66' ' ' ALA . 63.6 mttp -62.48 -44.3 96.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.112 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 39.3 t -69.29 -28.91 66.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.736 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.88 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.701 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -84.17 -68.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.631 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 47.45 82.27 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.908 0.755 . . . . 0.0 111.907 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -103.64 157.4 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 68.37 17.88 9.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 109.995 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -146.13 135.44 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.08 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -128.03 148.44 50.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.696 0.284 . . . . 0.0 110.877 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -93.85 -34.79 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.22 177.579 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.824 0.345 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.17 23.02 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 pt -65.25 149.69 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.269 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.34 68.65 0.78 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.12 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -76.64 91.35 3.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.913 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -66.84 -43.32 84.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.892 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -136.05 147.66 48.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -84.76 138.14 32.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -57.59 -39.41 76.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.826 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -55.27 -38.96 69.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.748 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.492 HE22 HD22 ' A' ' 15' ' ' LEU . 17.7 tm0? -67.85 -57.35 6.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.17 -44.68 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.114 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.22 -47.51 84.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -70.66 -34.58 72.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.489 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 19' ' ' ILE . 45.5 tp -60.88 -53.25 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.087 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.09 -46.13 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.32 -46.21 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.67 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -69.63 -30.86 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -61.86 -45.15 99.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.69 0.757 . . . . 0.0 109.015 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.72 -35.77 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.623 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 17' ' ' ALA . 79.6 t -57.85 -41.12 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 177.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.26 -54.21 38.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 110.617 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.11 -44.65 79.29 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.763 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -72.29 -32.38 66.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.255 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.34 -32.65 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -87.9 -0.05 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.133 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt 44.14 49.26 7.63 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.333 1.021 . . . . 0.0 111.098 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.28 132.42 86.07 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.724 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HD2' HD23 ' A' ' 32' ' ' LEU . 46.9 Cg_exo -57.23 162.05 10.25 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.442 2.095 . . . . 0.0 111.157 173.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -54.95 -45.03 74.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.94 0.4 . . . . 0.0 111.202 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.55 -32.81 70.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.465 -178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 47.6 tp -73.9 -39.89 63.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.686 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -60.31 -45.48 93.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.187 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.03 -37.58 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.904 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 tpp -61.23 -60.18 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.862 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.69 80.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 0.0 111.258 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' B' ' 41' ' ' VAL . 11.2 tp -66.19 -47.94 72.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.321 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.61 95.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.579 ' O ' ' HB3' ' A' ' 43' ' ' HIS . 14.1 m120 -58.69 -50.55 73.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 174.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.29 -47.9 83.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.1 t -56.59 -50.55 73.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.536 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.454 ' OG1' HD22 ' B' ' 65' ' ' LEU . 3.1 m -78.86 -28.68 44.25 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' HD21 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -70.94 -23.48 62.25 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.162 0.505 . . . . 0.0 110.637 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 43.8 mt -75.83 -32.81 59.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.882 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -58.51 -36.08 73.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.011 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' ' HG3' ' A' ' 47' ' ' ARG . 35.7 mt-10 -59.77 -57.64 12.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.771 0.796 . . . . 0.0 111.735 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.57 ' HG3' ' HB2' ' A' ' 46' ' ' GLU . 11.8 mtt-85 -105.64 -3.03 22.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.22 -160.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 40.8 mmtm -111.06 -24.57 10.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.021 0.438 . . . . 0.0 110.514 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.48 135.29 24.95 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.568 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 34.8 Cg_exo -61.55 150.33 85.83 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.498 2.132 . . . . 0.0 112.124 176.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -46.67 -42.44 16.46 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.55 -43.23 81.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.4 t -82.29 -14.85 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 91.3 mtt180 -55.01 -48.14 73.76 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.793 0.33 . . . . 0.0 110.684 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 29.5 tt0 -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.797 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.09 74.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.06 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.37 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.44 69.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 29.5 mt-10 -68.33 -44.63 74.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.392 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.56 -37.22 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 111.102 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.13 -46.39 77.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.219 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 62' ' ' ALA . . . -61.11 -40.46 93.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 94.8 mttt -64.35 -47.95 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.93 -35.89 77.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 41' ' ' VAL . 10.6 tp -62.47 -54.45 39.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.12 82.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.092 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -66.42 -36.18 82.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.987 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.6 m -62.19 -36.79 82.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.337 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.57 -48.61 71.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.263 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -56.25 -47.4 78.6 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.029 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.628 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 70.1 m -83.53 0.07 48.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -86.22 -30.04 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.62 -52.42 3.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.107 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.628 ' HG2' ' HA ' ' A' ' 71' ' ' SER . 21.9 mt-10 64.33 -72.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.968 0.907 . . . . 0.0 112.622 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.8 96.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.134 0.493 . . . . 0.0 110.544 -175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 4.8 p80 -84.78 159.73 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.852 175.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -87.11 20.09 2.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -138.18 101.56 4.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.347 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -64.73 -52.09 58.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.925 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.188 176.621 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.049 0.452 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 163.63 40.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 tt -99.64 90.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.583 0.706 . . . . 0.0 110.912 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 55.74 36.96 28.25 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.309 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -90.71 103.5 16.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -76.61 93.1 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.761 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 71.7 -168.2 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.84 177.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -146.93 119.05 8.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.34 -1.3 . . . . 0.0 108.447 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -57.0 -39.33 74.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.022 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -70.16 -31.95 69.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.315 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.27 -52.01 45.96 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 37.4 t -56.68 -44.15 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.267 0.556 . . . . 0.0 110.17 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.48 -41.75 99.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.701 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t -66.25 -38.6 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.575 ' O ' HG13 ' B' ' 19' ' ' ILE . 7.2 mp -60.02 -58.03 10.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.579 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 74.9 mt -50.77 -45.59 27.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 O-C-N 123.568 0.543 . . . . 0.0 111.335 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -61.38 -47.18 87.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.815 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.94 -33.68 64.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.314 . . . . 0.0 111.252 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.582 HG23 HG23 ' A' ' 19' ' ' ILE . 60.4 mt -64.82 -36.1 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 43' ' ' HIS . 77.9 mt -65.4 -34.82 79.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.622 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 17' ' ' ALA . 83.4 t -57.66 -43.26 83.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.315 176.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -49.14 68.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.345 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 95.2 mt -51.72 -45.24 63.53 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 111.47 174.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.75 -30.73 61.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -57.83 -44.59 86.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.7 -0.63 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 2.3 ttpm? 48.5 70.36 0.46 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.897 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.44 123.2 57.31 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.219 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.42 173.02 5.76 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.793 2.329 . . . . 0.0 111.044 172.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -56.1 -45.02 79.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.99 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -43.43 85.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.8 tp -79.86 -37.15 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.127 -173.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 12.2 p -69.49 -43.05 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.2 -37.67 86.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.652 0.263 . . . . 0.0 110.506 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -61.82 -47.22 86.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.423 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -57.73 11.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 41' ' ' VAL . 66.0 mt -56.02 -41.47 74.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.667 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.24 87.59 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -73.79 -31.2 63.17 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.784 -0.245 . . . . 0.0 110.476 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 73.9 m -62.3 -50.31 72.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.695 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 37' ' ' LEU . 47.3 t -58.34 -49.04 83.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -70.27 -33.02 71.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.047 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' B' ' 47' ' ' ARG . 52.1 t60 -71.17 -31.04 67.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.14 -37.88 78.51 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.223 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.421 ' HB3' ' HD3' ' B' ' 54' ' ' ARG . 82.4 mt -59.58 -55.17 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.727 176.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.33 -6.43 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.762 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 43' ' ' HIS . 1.4 tmt_? -95.99 -61.48 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.445 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -104.91 -24.1 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 50' ' ' PRO . 40.8 t -91.65 131.14 36.67 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 120.546 0.212 . . . . 0.0 111.03 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 49' ' ' VAL . 17.1 Cg_exo -68.11 139.68 47.29 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.77 2.314 . . . . 0.0 112.05 175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.692 ' HA ' ' HB2' ' B' ' 54' ' ' ARG . 14.9 m -39.72 -39.05 0.71 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.23 -37.65 88.22 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.1 -0.375 . . . . 0.0 111.729 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 57' ' ' VAL . 7.0 t -96.53 -13.36 23.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HB2' ' HA ' ' B' ' 51' ' ' SER . 12.7 tpp85 -43.23 -64.19 0.68 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.13 0.972 . . . . 0.0 111.41 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.25 -30.17 62.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.941 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -37.46 82.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 53' ' ' SER . 75.1 t -68.7 -41.79 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.85 73.52 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.964 0.411 . . . . 0.0 110.913 175.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -65.26 -46.16 81.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.215 179.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.26 -35.58 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' B' ' 65' ' ' LEU . 57.9 t80 -60.11 -45.84 91.62 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.47 0.653 . . . . 0.0 109.655 176.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.424 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -60.39 -37.53 81.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.118 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 67' ' ' GLN . 65.2 mttm -56.5 -48.72 76.58 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.66 -48.08 78.38 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.461 HD11 ' CE2' ' B' ' 61' ' ' PHE . 0.6 OUTLIER -69.84 -43.85 71.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.068 -177.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.79 -45.79 88.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.615 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 26.4 mt-30 -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.279 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.8 p -68.22 -40.98 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.055 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.44 -42.19 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.32 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -69.39 -33.63 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.2 m -83.83 -1.79 55.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.155 0.502 . . . . 0.0 110.812 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -82.0 -28.25 32.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.93 -48.59 7.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.144 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 69.55 163.43 0.24 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.963 0.887 . . . . 0.0 112.771 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -147.57 125.16 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.806 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 32.2 m170 57.12 -131.04 1.58 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -173.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 57.2 56.36 5.25 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.424 0.452 . . . . 0.0 110.77 172.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -54.95 136.22 47.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.509 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -94.24 -66.68 0.9 Allowed 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.574 176.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.68 0.276 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.03 -66.1 0.29 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.517 0.727 . . . . 0.0 112.552 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.68 138.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.996 0.426 . . . . 0.0 111.61 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -80.65 77.2 7.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.889 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -162.43 -86.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? 177.22 -38.54 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -165.96 171.47 12.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.105 -1.407 . . . . 0.0 107.669 166.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -143.76 170.66 15.46 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.055 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -61.15 -38.55 86.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.189 0.305 . . . . 0.0 111.087 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -60.92 -32.35 71.85 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -77.38 -34.29 54.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.169 0.509 . . . . 0.0 109.706 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 16' ' ' ILE . 59.2 t -69.66 -43.78 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.863 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.06 -50.48 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 p -63.71 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.282 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' B' ' 26' ' ' HIS . 3.6 mp -70.1 -48.96 55.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.709 175.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 12' ' ' VAL . 85.0 mt -54.8 -40.29 51.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.107 177.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.36 -52.02 64.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.008 176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -56.07 -45.6 79.25 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.885 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' B' ' 19' ' ' ILE . 39.1 mt -64.2 -45.3 96.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.851 -177.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.58 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.612 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 49.5 t -58.69 -41.96 83.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' B' ' 22' ' ' VAL . 93.3 t -58.94 -48.71 85.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 120.866 0.365 . . . . 0.0 110.588 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD11 HD21 ' A' ' 37' ' ' LEU . 92.5 mt -58.54 -34.45 71.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.365 175.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -71.26 -45.64 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 29.9 mtpp -56.06 -45.24 79.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.426 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.83 -4.37 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 pttm 36.01 72.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.277 0.986 . . . . 0.0 112.08 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.96 75.72 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.732 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.99 163.46 25.41 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.566 2.177 . . . . 0.0 111.51 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.6 m -53.99 -46.28 71.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -175.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 35' ' ' MET . 6.0 m-20 -58.17 -54.53 45.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.979 0.419 . . . . 0.0 110.368 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 tp -62.65 -33.33 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB3' HD13 ' B' ' 44' ' ' LEU . 44.9 m -61.15 -51.09 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.606 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.26 -38.35 90.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.346 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 90.4 mmm -62.61 -45.86 90.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.96 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.14 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' B' ' 41' ' ' VAL . 4.6 mm? -59.82 -36.86 77.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.524 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.13 78.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.499 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -73.99 -17.79 60.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.631 0.253 . . . . 0.0 111.127 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' B' ' 16' ' ' ILE . 92.8 m -66.43 -46.33 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.73 -45.7 90.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -40.11 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.101 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -69.42 -34.01 73.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.662 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 98.4 mt -64.96 -48.06 75.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 82.0 mt -55.3 -48.59 73.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.617 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.21 -62.33 1.96 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.334 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 47' ' ' ARG . 14.4 mmt180 -105.21 6.54 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -167.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 14.5 mptt -117.86 -24.33 7.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 172.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 39.5 t -113.75 135.84 22.01 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.391 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.4 Cg_endo -55.02 151.3 34.63 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.873 2.382 . . . . 0.0 112.43 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -50.61 -54.14 25.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.5 -29.5 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 0.0 111.281 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.3 m -80.72 -24.58 38.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 93.9 mtt180 -54.87 -44.74 74.31 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.04 -47.72 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.798 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.35 80.93 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.512 -176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.85 -36.64 70.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.675 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -48.37 81.6 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.571 0.224 . . . . 0.0 110.46 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.58 -53.71 35.29 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.876 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.76 -51.52 58.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.435 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -60.97 -44.25 97.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.241 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.85 94.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.05 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.26 -24.4 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.528 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.03 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.937 0.399 . . . . 0.0 110.065 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 14.6 tp -62.33 -51.16 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.69 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.868 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.91 -48.8 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.157 174.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 m -63.86 -40.49 96.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.1 t -68.8 -31.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 70' ' ' LYS . 4.7 ttmp? -72.4 -36.47 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.4 t -88.9 0.65 56.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.397 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.86 -28.14 64.36 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.216 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.71 -53.68 31.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.399 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 70.4 157.04 0.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.013 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.99 -138.04 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.71 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 77.15 -59.62 0.47 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.569 0.748 . . . . 0.0 111.776 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -94.15 102.31 14.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.124 0.488 . . . . 0.0 110.767 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -81.4 75.34 8.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.044 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -99.11 -8.73 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 167.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 114.317 -1.311 . . . . 0.0 108.154 174.15 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.464 0.173 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.456 ' O ' HG22 ' B' ' 3' ' ' ILE . . . 71.2 152.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.591 0.756 . . . . 0.0 111.821 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.456 HG22 ' O ' ' B' ' 2' ' ' ALA . 1.7 tt 71.36 -38.51 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.556 1.142 . . . . 0.0 112.091 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -91.04 77.94 6.0 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -169.87 86.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.794 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -77.22 -57.77 3.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -112.85 172.58 6.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.048 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.6 t -80.88 123.34 28.21 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -58.26 -33.18 69.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.885 0.374 . . . . 0.0 110.08 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -61.3 -48.03 83.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.089 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -60.84 -49.84 75.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.135 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.408 ' O ' HG13 ' B' ' 16' ' ' ILE . 46.4 t -61.71 -49.14 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.85 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.645 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 49.8 m -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.768 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 19' ' ' ILE . 40.6 tp -65.36 -45.52 83.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 110.281 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 40' ' ' CYS . 82.4 mt -56.32 -42.65 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.942 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -60.81 -41.3 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' B' ' 14' ' ' SER . 13.2 mm-40 -53.64 -48.48 69.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.43 0.633 . . . . 0.0 110.402 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.64 HG23 HG23 ' A' ' 19' ' ' ILE . 10.4 mt -68.2 -44.08 84.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.891 -177.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 95.1 mt -61.12 -40.0 92.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.658 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 17' ' ' ALA . 53.1 t -58.99 -41.37 83.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.668 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.413 HG21 HG21 ' A' ' 22' ' ' VAL . 70.2 t -54.94 -51.99 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.721 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.777 HD11 HD23 ' B' ' 37' ' ' LEU . 98.7 mt -61.55 -55.09 34.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.048 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.04 -23.13 61.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.06 -48.13 82.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 15' ' ' LEU . 9.1 p80 -96.19 4.62 52.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.417 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 78.7 tttt 67.09 44.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.404 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.581 ' HB2' ' NE2' ' B' ' 26' ' ' HIS . . . -53.08 114.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 171.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.09 159.74 33.2 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.621 2.214 . . . . 0.0 111.786 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -51.58 -42.45 61.91 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.451 0.469 . . . . 0.0 112.207 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -36.31 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.205 0.526 . . . . 0.0 110.646 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 tp -84.07 -34.38 24.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.926 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 23.7 p -68.76 -47.15 66.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 0.0 110.608 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.7 -39.73 94.93 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.491 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.4 tpp -60.11 -52.14 66.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.99 -49.06 76.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.777 HD23 HD11 ' B' ' 23' ' ' LEU . 0.2 OUTLIER -62.29 -44.77 95.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -177.458 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.37 -45.04 93.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.363 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -68.55 -32.71 72.83 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.954 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 75.0 m -67.2 -47.7 70.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.478 0.18 . . . . 0.0 110.936 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 37' ' ' LEU . 91.1 t -57.14 -45.03 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.561 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -69.45 -37.74 77.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.549 ' HA ' ' OE2' ' B' ' 46' ' ' GLU . 41.5 t60 -64.82 -32.51 74.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.196 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 33' ' ' SER . 94.5 mt -67.2 -38.38 85.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.101 0.477 . . . . 0.0 110.002 177.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.86 ' HB3' ' HG3' ' B' ' 54' ' ' ARG . 87.2 mt -64.89 -28.78 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.11 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 43' ' ' HIS . 45.2 mt-10 -65.16 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 111.946 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -89.26 -23.19 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -167.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -96.8 -23.29 16.46 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.789 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -120.43 130.03 25.04 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.887 0.375 . . . . 0.0 111.033 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.32 143.56 99.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 111.382 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 m -47.69 -38.65 15.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' B' ' 53' ' ' SER . 1.5 pm0 -66.75 -52.81 39.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 111.157 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.481 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 36.5 m -70.93 -26.65 63.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.113 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.86 ' HG3' ' HB3' ' B' ' 45' ' ' LEU . 39.9 ttm180 -53.66 -48.48 69.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -77.53 -29.58 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.86 79.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 53' ' ' SER . 92.4 t -63.88 -34.17 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.325 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.3 93.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.71 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 61.5 mm-40 -59.9 -47.6 85.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 176.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.83 -39.94 90.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.912 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.89 -44.69 96.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.448 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.65 -40.55 79.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.003 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 59' ' ' GLU . 70.3 mmtt -64.51 -49.82 69.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.072 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.53 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.467 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.38 -44.85 93.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.354 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.26 89.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.712 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.63 -42.32 98.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.67 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 7.3 p -65.55 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.38 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 91.3 t -75.78 -47.45 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 110.739 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' B' ' 74' ' ' GLU . 41.2 tttm -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.714 -171.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.5 p -66.82 -22.04 66.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.75 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.99 -11.98 57.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 110.065 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -100.91 -45.96 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.983 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 70' ' ' LYS . 73.8 mm-40 -53.97 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.725 0.641 . . . . 0.0 112.046 -176.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 67.09 -56.58 0.43 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 111.748 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 56.15 -52.85 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.986 1.715 . . . . 0.0 114.666 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -82.37 25.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 118.586 0.63 . . . . 0.0 110.996 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 14.89 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.962 178.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -106.21 82.67 1.78 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.154 -173.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.43 -175.29 0.2 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.178 0.591 . . . . 0.0 111.328 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.4 mt -83.36 109.77 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -101.83 19.88 17.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.2 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p 56.37 -170.38 0.09 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.911 0.884 . . . . 0.0 111.465 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.33 -26.6 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.171 -174.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.0 107.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.142 0.496 . . . . 0.0 110.362 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.2 m -104.72 166.32 10.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.83 -173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -56.91 -56.32 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.098 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' HD13 ' A' ' 15' ' ' LEU . 33.5 tt0 -65.24 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.331 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 HD11 ' B' ' 32' ' ' LEU . 60.9 t -63.22 -38.82 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.287 -174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.086 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -68.67 -33.79 74.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.616 0.246 . . . . 0.0 110.873 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 19' ' ' ILE . 8.9 mp -63.03 -51.84 65.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' B' ' 36' ' ' ALA . 74.5 mt -57.43 -46.29 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.33 -36.94 83.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.347 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -67.23 -39.49 86.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.69 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -60.73 -42.48 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.612 0.72 . . . . 0.0 109.688 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.82 -35.57 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.793 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.5 t -64.94 -34.73 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.679 177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.547 ' CG2' HG21 ' B' ' 22' ' ' VAL . 49.1 t -57.76 -54.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 0.0 109.853 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD11 HD21 ' A' ' 37' ' ' LEU . 92.2 mt -56.07 -51.93 66.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.861 175.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.11 -31.39 72.57 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.1 -29.17 70.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.87 -1.19 38.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.209 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 35.0 tptt 55.85 42.93 28.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.178 -176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -65.85 122.74 82.36 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.225 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.2 Cg_exo -65.27 170.58 10.49 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.666 2.244 . . . . 0.0 111.518 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -54.04 -44.65 71.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.326 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.85 -47.11 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.549 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.1 tp -68.83 -37.42 79.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.403 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 m -63.75 -54.25 38.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.804 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.15 -35.51 79.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.091 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.5 ttm -63.34 -53.96 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.36 79.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD21 HD11 ' A' ' 23' ' ' LEU . 3.9 mm? -61.64 -44.95 96.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.02 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -45.67 95.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.411 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -66.83 -36.14 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.158 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 43.0 t -62.78 -49.34 75.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 93.3 t -56.89 -42.33 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 110.623 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -65.78 -39.4 90.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.685 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.71 -24.11 58.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' B' ' 37' ' ' LEU . 95.4 mt -66.56 -32.8 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 0.0 109.921 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.44 -28.34 66.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.201 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.56 -5.76 51.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.292 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.807 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 25.8 ttt180 -87.04 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.197 -174.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.807 ' HG2' ' HG2' ' A' ' 47' ' ' ARG . 32.7 mmmt -130.67 25.59 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -114.91 128.01 26.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.664 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.642 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 11.9 Cg_endo -57.29 148.98 67.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.961 2.441 . . . . 0.0 112.037 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -53.58 -47.96 69.63 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' OE1' ' HB2' ' A' ' 50' ' ' PRO . 1.3 pm0 -72.04 -34.45 68.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.7 t -72.65 -28.49 62.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.257 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 99.3 mtt180 -53.35 -43.23 67.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.04 0.447 . . . . 0.0 110.562 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.46 -33.69 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.936 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -79.08 -33.91 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.647 0.261 . . . . 0.0 111.214 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' SER . 98.6 t -66.47 -37.93 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.82 82.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.958 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 17.3 tt0 -62.71 -53.73 49.99 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.931 174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 77.0 mm-40 -56.67 -42.46 79.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.482 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.15 -39.61 82.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.323 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.08 75.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.415 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.85 -43.84 94.94 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.54 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.87 92.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.81 -50.42 72.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.287 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.77 92.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.489 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -65.04 -38.67 91.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.349 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.469 . . . . 0.0 110.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.35 -48.38 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 53.4 tttm -66.5 -28.31 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.007 -176.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 74' ' ' GLU . 10.1 t -67.61 -7.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.331 -178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -31.0 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.4 mt -94.54 -21.29 18.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 71' ' ' SER . 10.3 mm-40 -89.97 39.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.386 176.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -67.54 -51.03 55.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.144 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -114.55 103.19 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.574 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 57.13 81.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.258 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.445 ' HB3' ' H ' ' A' ' 79' ' ' HIS . 3.4 m-70 -137.9 -153.37 0.48 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.246 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.445 ' H ' ' HB3' ' A' ' 78' ' ' HIS . 18.9 p-80 -138.29 143.88 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.895 179.071 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtm . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.658 0.266 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.63 -52.05 1.71 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.93 0.395 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -102.77 169.04 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -138.7 -55.08 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.742 0.306 . . . . 0.0 111.161 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -134.34 168.15 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.906 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -84.48 -25.48 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.116 0.484 . . . . 0.0 109.851 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -125.41 153.86 42.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.156 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t -108.94 151.44 26.29 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -62.17 -40.32 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.198 0.523 . . . . 0.0 109.642 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 33.0 m -62.95 -33.84 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.718 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.99 -49.06 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 16' ' ' ILE . 43.5 t -69.33 -46.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.51 -45.79 91.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.835 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -68.59 -29.79 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.886 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.629 ' O ' HG13 ' B' ' 19' ' ' ILE . 57.5 tp -63.03 -50.39 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 12' ' ' VAL . 65.8 mt -58.5 -43.32 86.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.211 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.537 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -59.45 -41.83 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.448 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.629 HG13 ' O ' ' B' ' 15' ' ' LEU . 27.7 mt -61.48 -40.16 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 109.839 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.417 HD23 HD12 ' B' ' 23' ' ' LEU . 96.0 mt -65.15 -34.73 79.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.705 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 17' ' ' ALA . 85.3 t -62.85 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.232 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.547 HG21 ' CG2' ' A' ' 22' ' ' VAL . 86.1 t -60.07 -45.57 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.969 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.417 HD12 HD23 ' B' ' 20' ' ' LEU . 94.3 mt -50.04 -42.67 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.674 172.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.09 -15.25 51.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' B' ' 21' ' ' VAL . 29.9 mmmt -63.2 -35.62 80.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 0.0 110.12 175.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -98.65 -15.85 19.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.44 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.76 77.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.725 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.12 124.6 40.94 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.376 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.03 169.27 10.77 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.461 2.107 . . . . 0.0 111.338 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 48' ' ' LYS . 19.9 m -51.03 -45.14 61.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 35' ' ' MET . 10.5 m-20 -58.18 -53.7 55.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.572 HD11 HG22 ' A' ' 12' ' ' VAL . 32.3 tp -68.33 -32.57 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.509 -176.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -46.78 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.141 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 30' ' ' THR . 95.7 mt -61.93 -35.99 80.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.62 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' B' ' 31' ' ' ASP . 87.6 mtp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 16' ' ' ILE . . . -69.54 -57.72 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 44' ' ' LEU . 4.5 mm? -52.2 -43.63 64.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.138 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.21 91.91 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.51 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -69.28 -33.57 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.505 0.193 . . . . 0.0 110.782 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 83.9 m -61.6 -52.71 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.414 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 64.7 t -58.41 -44.7 89.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 21.3 m -61.52 -46.57 89.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.908 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -69.08 -27.82 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 40' ' ' CYS . 87.6 mt -65.34 -49.87 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.481 ' O ' ' HB ' ' B' ' 49' ' ' VAL . 83.5 mt -63.17 -37.51 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.704 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.38 -45.71 86.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.459 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -88.35 -42.82 11.95 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.544 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -88.65 -19.05 26.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' B' ' 45' ' ' LEU . 39.2 t -119.39 134.85 23.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.714 0.292 . . . . 0.0 111.324 -173.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 51.9 Cg_exo -57.06 153.07 40.61 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.427 176.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 27.3 t -48.61 -56.87 7.25 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.07 -39.72 93.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.578 -178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.437 ' HB2' HG12 ' B' ' 49' ' ' VAL . 5.5 m -70.11 -29.32 66.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.066 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' B' ' 50' ' ' PRO . 98.6 mtt180 -53.72 -50.36 66.08 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.595 177.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.58 -35.62 79.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.308 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.96 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 0.0 110.645 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.94 -40.12 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.31 89.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.692 0.282 . . . . 0.0 110.921 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 9.1 mm-40 -55.6 -56.02 25.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.032 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.45 -42.76 99.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.286 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.15 -47.28 85.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.61 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' B' ' 59' ' ' GLU . 42.8 mttm -70.78 -40.87 72.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.264 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.22 86.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 69' ' ' VAL . 17.8 tp -58.79 -55.2 38.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.123 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -61.88 -44.18 97.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.054 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.2 m -62.8 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 65' ' ' LEU . 72.1 t -61.46 -47.1 94.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 0.0 110.579 177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.988 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.6 t -71.95 -11.88 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.224 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -86.79 -16.98 34.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.26 0.553 . . . . 0.0 110.001 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -100.89 -34.52 9.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.858 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.71 156.06 32.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.238 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -96.96 -25.91 15.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 17.4 t60 59.42 40.01 21.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.654 171.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -94.62 -1.25 53.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.841 0.829 . . . . 0.0 109.527 176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -117.3 134.81 54.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.097 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -74.94 -38.06 61.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.527 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.63 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.11 57.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.723 0.296 . . . . 0.0 110.339 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG13 ' H ' ' A' ' 4' ' ' GLN . 16.2 pt -88.64 -53.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.354 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.485 ' H ' HG13 ' A' ' 3' ' ' ILE . 11.3 pt20 175.82 139.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.472 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -102.76 4.76 38.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.215 0.531 . . . . 0.0 110.563 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -85.09 107.57 17.24 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.789 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -37.85 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.967 174.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.7 t 162.61 143.19 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -65.69 -45.48 82.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.255 0.55 . . . . 0.0 109.736 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 p -71.45 -30.49 66.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.365 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.506 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 5.8 tp-100 -58.67 -47.34 84.81 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG22 HD11 ' B' ' 32' ' ' LEU . 35.2 t -68.72 -45.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.26 -55.28 36.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.688 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.6 p -62.44 -33.99 75.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 110.777 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' B' ' 23' ' ' LEU . 57.8 tp -59.96 -56.4 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.206 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 19' ' ' ILE . 75.6 mt -62.12 -38.3 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.684 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -58.28 -47.27 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.223 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -63.53 -37.49 87.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 110.883 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' B' ' 19' ' ' ILE . 50.4 mt -59.2 -46.24 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.106 0.479 . . . . 0.0 110.083 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.86 -42.66 94.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.601 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.484 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 56.5 t -63.11 -38.21 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' B' ' 22' ' ' VAL . 55.1 t -66.1 -45.2 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.538 177.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 37' ' ' LEU . 94.8 mt -49.05 -53.31 20.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.648 171.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 11.4 pt-20 -76.67 -22.27 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 59.7 tttm -72.94 -28.65 62.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.019 0.438 . . . . 0.0 110.024 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.63 -2.44 44.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 59.02 70.67 0.63 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.738 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -94.31 120.05 65.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.05 178.23 2.02 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.67 2.247 . . . . 0.0 111.32 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -63.16 -38.66 92.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.118 0.485 . . . . 0.0 110.233 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.88 -48.88 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.574 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' B' ' 12' ' ' VAL . 36.6 tp -75.71 -38.5 58.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.87 -172.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 p -64.5 -48.07 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.547 0.213 . . . . 0.0 110.987 -178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.75 -43.64 94.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.117 0.484 . . . . 0.0 110.442 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 ttm -66.44 -43.89 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.339 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.81 22.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.018 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 23' ' ' LEU . 4.6 mm? -55.9 -43.98 77.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.55 -46.5 81.13 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.948 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.76 -30.19 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.16 -24.05 61.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.948 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -72.87 -50.42 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 177.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 p -66.47 -31.44 72.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.231 0.539 . . . . 0.0 110.16 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -54.0 -32.11 53.11 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.26 174.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' ND1' ' A' ' 43' ' ' HIS . 32.0 mt -87.11 -38.72 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.018 0.437 . . . . 0.0 110.538 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 72.8 mt -60.4 -46.24 90.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.701 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 29.4 mt-10 -87.25 2.29 50.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.996 -177.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -94.24 -51.56 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.619 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -114.34 -28.66 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -174.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -89.56 127.85 53.02 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.663 0.268 . . . . 0.0 111.311 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.52 149.0 92.48 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.503 2.135 . . . . 0.0 111.404 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -53.6 -36.73 62.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -62.7 -52.09 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.776 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.3 m -77.65 -20.54 53.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.733 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HB3' ' A' ' 45' ' ' LEU . 37.4 ttm180 -56.25 -38.88 71.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.33 -37.16 60.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.731 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.42 94.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 53' ' ' SER . 99.5 t -61.4 -39.61 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 178.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.26 93.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.917 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.08 -44.25 97.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.774 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -73.18 -31.84 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.696 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.93 -44.23 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.5 88.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.735 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -61.6 -40.7 95.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.483 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.53 94.64 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.387 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD22 ' OG1' ' B' ' 42' ' ' THR . 4.7 mt -65.14 -46.93 78.93 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.94 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.206 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.22 -44.19 97.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.551 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.661 ' HB3' HG21 ' B' ' 42' ' ' THR . 23.1 t -70.54 -47.71 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 55' ' ' GLN . 78.6 t -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.42 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.46 -40.0 85.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.725 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 m -68.56 -23.36 64.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.205 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.29 -32.08 38.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.597 HD11 ' HD2' ' B' ' 54' ' ' ARG . 9.8 mp -98.65 -46.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' A' ' 77' ' ' HIS . 58.1 mt-10 -82.14 51.15 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -90.93 -2.23 57.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -111.3 104.17 12.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.897 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' NE2' ' HB3' ' A' ' 74' ' ' GLU . 89.1 m-70 -138.05 -68.88 0.45 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 170.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.6 t60 66.67 -78.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.142 168.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -154.34 130.53 10.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.862 0.363 . . . . 0.0 110.452 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.809 176.223 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mmm . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.147 0.022 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.34 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.488 0.715 . . . . 0.0 111.662 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.52 113.97 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.475 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 70.44 -9.75 0.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.858 0.724 . . . . 0.0 111.674 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m 55.9 68.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.245 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.99 -46.81 88.24 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.01 108.33 4.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.945 169.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -75.55 163.74 27.05 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.176 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -62.92 -25.55 68.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -35.67 81.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.001 0.429 . . . . 0.0 110.311 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -70.97 -42.19 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.683 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 16' ' ' ILE . 40.0 t -60.67 -49.42 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.959 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.36 -39.11 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -57.88 -42.66 85.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.817 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.731 ' O ' HG12 ' B' ' 19' ' ' ILE . 9.4 mp -73.63 -41.12 63.19 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.3 mt -53.58 -46.29 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 110.427 177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -66.15 -35.38 80.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.256 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.83 -44.64 63.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.858 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.804 HG23 HG23 ' A' ' 19' ' ' ILE . 7.2 mm -63.99 -34.32 67.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -49.29 74.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.463 176.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.638 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 93.0 t -56.01 -47.7 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.497 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.5 t -51.17 -60.52 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 O-C-N 123.38 0.425 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 15' ' ' LEU . 92.2 mt -51.84 -50.81 60.15 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.234 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -86.74 -0.64 56.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -170.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 21' ' ' VAL . 47.2 mtmt -69.57 -43.82 72.1 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 167.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.608 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 8.3 mtmp? 65.72 41.23 4.03 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.135 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 134.5 95.9 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.04 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.2 169.12 12.73 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.585 2.19 . . . . 0.0 111.457 177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -56.68 -38.61 72.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -54.71 43.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.345 0.593 . . . . 0.0 110.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.62 HD11 HG22 ' A' ' 12' ' ' VAL . 39.6 tp -68.32 -31.15 70.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.078 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.438 ' O ' HD23 ' B' ' 37' ' ' LEU . 49.0 m -61.0 -49.46 77.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.537 178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.05 -38.39 88.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.451 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -60.93 -47.59 85.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.713 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.41 76.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.534 HD21 HD11 ' B' ' 23' ' ' LEU . 4.2 mm? -58.74 -48.95 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.93 -49.57 70.31 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.754 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -71.19 -32.34 68.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.768 -0.254 . . . . 0.0 111.201 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.6 t -66.47 -51.62 54.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.692 0.282 . . . . 0.0 110.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 37' ' ' LEU . 87.8 t -59.75 -44.09 93.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.042 0.449 . . . . 0.0 111.02 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 68' ' ' SER . 6.2 m -73.66 -21.16 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.733 -176.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -74.31 -28.93 61.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 110.34 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.78 -34.04 77.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.621 . . . . 0.0 109.433 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.557 HD23 HG21 ' B' ' 49' ' ' VAL . 87.8 mt -63.3 -32.74 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.736 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.22 -61.27 2.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -87.36 -31.02 20.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 48' ' ' LYS . 19.7 tptm -103.54 -39.96 6.52 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.819 -173.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.557 HG21 HD23 ' B' ' 45' ' ' LEU . 91.2 t -85.09 134.52 40.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.94 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' B' ' 54' ' ' ARG . 81.5 Cg_exo -49.15 141.96 22.11 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.142 2.562 . . . . 0.0 112.642 176.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.1 m -49.92 -52.09 35.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.598 -174.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.61 -35.92 75.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 0.0 111.116 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -70.71 -21.72 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.965 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.597 ' HD2' HD11 ' A' ' 73' ' ' LEU . 96.4 mtt180 -48.43 -45.34 36.18 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.454 ' HG3' HD22 ' A' ' 73' ' ' LEU . 52.2 mt-30 -59.29 -52.87 63.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 111.459 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.91 -32.42 59.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.08 -46.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.007 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' B' ' 45' ' ' LEU . . . -62.01 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.025 0.441 . . . . 0.0 110.373 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.601 ' HG2' ' HZ2' ' B' ' 63' ' ' LYS . 33.4 tt0 -63.1 -40.51 97.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.34 -38.93 65.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 110.429 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.74 -43.46 97.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.961 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.19 82.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.601 ' HZ2' ' HG2' ' B' ' 59' ' ' GLU . 58.1 mttp -62.64 -47.81 82.09 Favored 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.25 90.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.082 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 41' ' ' VAL . 19.5 tp -63.72 -50.41 69.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.145 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.77 79.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.711 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.97 -41.2 97.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.816 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.7 m -64.91 -36.22 83.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.74 -43.97 76.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.51 0.672 . . . . 0.0 110.277 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' B' ' 70' ' ' LYS . 8.6 ttmm -73.4 -16.43 61.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.736 -176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.8 -12.96 61.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.743 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -73.91 -29.17 61.91 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.12 -49.5 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.166 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.58 128.81 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.816 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -102.82 -23.14 13.79 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.207 -177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -158.0 169.49 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -116.48 87.04 2.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.64 0.733 . . . . 0.0 109.96 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 m170 61.36 -97.26 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.128 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -146.86 92.61 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.588 0.232 . . . . 0.0 111.005 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.666 176.243 . . . . . . . . 0 0 . 1 stop_ save_